SCHEMBL7795442

SCHEMBL7795442

COC(=O)Sc1cc(N)c(F)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
MAPT P10636 6/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
LMNA P02545 5/20 0.34
ABL1 P00519 1/20 0.34
CASP3 P42574 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HDAC1 Q13547 1/20 0.32

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
SCHEMBL8603218 0.84 MAPT (0.32) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL8600582 0.84 POLB (0.34) MAPTHTTMEN1KMT2APOLB
SCHEMBL8603141 0.84 CA1 (0.36) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL8601703 0.81 CYP1A2 (0.33) MAPTSMN1; SMN2HTTMEN1KMT2A
SCHEMBL8599212 0.80 HPGD (0.33) GAANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL8600179 0.79 ESR1 (0.41) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL8599291 0.79 LMNA (0.32) MAPTSMN1; SMN2LMNAHPGD
SCHEMBL8602224 0.78 ALDH1A1 (0.39) GAAMAPTNPC1RAB9AHTT
SCHEMBL10891104 0.78 SLC6A4 (0.33) MAPTHTTMEN1KMT2AALDH1A1
SCHEMBL8599203 0.78 ALDH1A1 (0.43) GAAMAPTSMN1; SMN2MEN1KMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0903340-B1 Process for production of alkoxycarbonylthioaryl compounds IHARA CHEMICAL IND CO (JP) 2001-12-12 EP disclosed
EP-0700901-B1 PROCESSES FOR PRODUCING THIOARYL COMPOUND IHARA CHEMICAL IND CO (JP) 2000-06-28 EP disclosed
EP-0903340-A1 Process for production of alkoxycarbonylthioaryl compounds IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 1999-03-24 EP disclosed
US-5883285-A REACTION OF DISULFIDE WITH ALKALI METAL HYDROXIDE IN THE PRESENCE OF SULFUR COMPOUND IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1999-03-16 US disclosed
US-5750763-A REACTING THE CORRESPONDING DISULFIDE COMPOUND WITH ALKALI METAL HYDROXIDE IN PRESENCE OF A SULFUR COMPOUND; THEN HALOGENATED FATTY ACID ESTER IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1998-05-12 US disclosed
EP-0626370-B1 Process for producing aromatic isothiocyanate derivatives SUMITOMO CHEMICAL CO (JP) 1998-02-11 EP disclosed
EP-0700901-A1 PROCESSES FOR PRODUCING THIOARYL COMPOUND IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 1996-03-13 EP disclosed
EP-0626370-A1 Process for producing aromatic isothiocyanate derivatives SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1994-11-30 EP disclosed