SCHEMBL434104

SCHEMBL434104

c1ccc(C2Nc3ccccc3S2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.53
RAB9A P51151 1/20 0.49
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
NPC1 O15118 2/20 0.49
HSD17B10 Q99714 4/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 2/20 0.44
POLB P06746 2/20 0.44
ALOX15 P16050 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 2/20 0.44
USP2 O75604 1/20 0.44
ESR1 P03372 1/20 0.44
THRB P10828 1/20 0.44
PTPN7 P35236 1/20 0.44
RECQL P46063 1/20 0.44
ESR2 Q92731 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19369688 0.85 IDO1 (0.52) IDO1RAB9AMEN1KMT2ANPC1
SCHEMBL14507319 0.85 RAB9A (0.59) IDO1RAB9AMEN1KMT2ANPC1
SCHEMBL11756212 0.85 IDO1 (0.47) IDO1RAB9AMEN1KMT2ANPC1
SCHEMBL26419941 0.83 HSD17B10 (0.42) IDO1RAB9AMEN1KMT2ANPC1
SCHEMBL13068076 0.83 IDO1 (0.42) IDO1RAB9AMEN1KMT2ANPC1
SCHEMBL18646827 0.82 IDO1 (0.44) IDO1RAB9AMEN1KMT2ANPC1
SCHEMBL19310465 0.82 IDO1 (0.41) IDO1RAB9AMEN1KMT2ANPC1
SCHEMBL24071112 0.81 SLC2A1 (0.48) IDO1RAB9AMEN1KMT2ANPC1
SCHEMBL13682971 0.81 IDO1 (0.47) IDO1RAB9AMEN1KMT2ANPC1
SCHEMBL19116397 0.81 IDO1 (0.43) IDO1RAB9AMEN1KMT2ANPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 75 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115626889-B Organic chemical conversion method for oxidative dehydrogenation of nitrogen-containing heterocyclic compound 南京工业大学 2024-04-30 CN claimed
CN-115626889-A Organic chemical conversion method for oxidative dehydrogenation of nitrogen-containing heterocyclic compound 南京工业大学 2023-01-20 CN claimed
CN-111217690-B Preparation method of propafenone hydrochloride and intermediate 2' -hydroxy dihydrochalcone thereof 临沂大学(CN) 2023-01-13 CN claimed
CN-111217690-A Preparation method of propafenone hydrochloride and intermediate 2' -hydroxy dihydrochalcone thereof 临沂大学 2020-06-02 CN claimed
CN-102516295-A Fluorenyl aromatic phosphine oxide, preparation method thereof and application thereof UNIV HEILONGJIANG 2012-06-27 CN claimed
CN-102432637-A Dibenzofuranyl aromatic phosporic-oxygenic compound and preparation method and application thereof UNIV HEILONGJIANG 2012-05-02 CN claimed
US-12024732-B2 Method for preparing nitrogen-containing heterocyclic compound and derivative thereof by enzymatic-chemical cascade method NANJING TECH UNIVERSITY (CN) 2024-07-02 US disclosed
US-12024732-B2 Method for preparing nitrogen-containing heterocyclic compound and derivative thereof by enzymatic-chemical cascade method NANJING TECH UNIVERSITY (CN) 2024-07-02 US disclosed
CN-115626889-B Organic chemical conversion method for oxidative dehydrogenation of nitrogen-containing heterocyclic compound 南京工业大学 2024-04-30 CN disclosed
US-20240026400-A1 METHOD FOR PREPARING NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND DERIVATIVE THEREOF BY ENZYMATIC-CHEMICAL CASCADE METHOD NANJING TECH UNIVERSITY (CN) 2024-01-25 US disclosed
US-20240026400-A1 METHOD FOR PREPARING NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND DERIVATIVE THEREOF BY ENZYMATIC-CHEMICAL CASCADE METHOD NANJING TECH UNIVERSITY (CN) 2024-01-25 US disclosed
US-20230382749-A1 PHOTODRIVEN TRANSFER HYDROGENATION OF N2 TO NH3 CALIFORNIA INST OF TECHN (US) 2023-11-30 US disclosed
US-20230382749-A1 PHOTODRIVEN TRANSFER HYDROGENATION OF N2 TO NH3 CALIFORNIA INST OF TECHN (US) 2023-11-30 US disclosed
EP-0164471-B1 COMPOSITION CONTAINING BENZOTHIAZOLINES AS ANTIOXIDANTS CASTROL LIMITED (GB) 1989-11-08 EP disclosed
US-4708810-A LUBRICANT ADDITIVE CASTROL LIMITED (GB) 1987-11-24 US disclosed
EP-0164471-A2 Composition containing benzothiazolines as antioxidants CASTROL LIMITED (GB) 1985-12-18 EP disclosed
US-4558125-A Benzothiazoline compounds which contain a carbonyl group useful for treating cardiovascular disease SANTEN PHARMACEUTICAL CO., LTD. (JP) 1985-12-10 US disclosed
US-4552969-A 3-Alkanoyl benzothiazoline compounds useful for treating cardiovascular disease SANTEN PHARMACEUTICAL CO., LTD. (JP) 1985-11-12 US disclosed
US-4547513-A ANTIARRHYTHMIA AND ANTITHROMBOGENIC AGENTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1985-10-15 US disclosed
US-4479949-A ANTICOAGULANTS, ANTIARRHYTHMIA AGENTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1984-10-30 US disclosed