SCHEMBL8370307

SCHEMBL8370307

O=C(O)C=Cc1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.41
HCAR2 Q8TDS4 2/20 0.40
HDAC3 O15379 1/20 0.40
TNKS O95271 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL10414515 1.00 TBXAS1 (0.41) TBXAS1HCAR2HDAC3TNKSHDAC4
SCHEMBL28365787 0.85 KDM4E (0.40) SMN1; SMN2CA1CA2LMNAKDM4E
SCHEMBL23703963 0.81 LMNA (0.38) TBXAS1RAB9ASMN1; SMN2CA2NFKB1
SCHEMBL314908 0.80 CYP11B1 (0.40) TBXAS1RAB9ASMN1; SMN2CA2NFKB1
SCHEMBL23704247 0.79 CYP11B1 (0.35) CYP11B1CYP11B2
SCHEMBL4389881 0.78 CYP11B1 (0.36) TBXAS1RAB9ASMN1; SMN2CA2NFKB1
SCHEMBL4389878 0.78 CYP11B1 (0.36) TBXAS1RAB9ASMN1; SMN2CA2NFKB1
SCHEMBL6071924 0.77 CYP11B1 (0.35) CYP11B1CYP11B2
SCHEMBL6071929 0.77 CYP11B1 (0.35) CYP11B1CYP11B2
SCHEMBL28365560 0.76 TBXAS1 (0.41) TBXAS1HCAR2HDAC3TNKSHDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116615251-A Antibody-drug conjugates comprising GLP1 peptide mimetics and the uses thereof 瑞泽恩制药公司 2023-08-18 CN disclosed
EP-4210767-A1 ANTIBODY-DRUG CONJUGATES COMPRISING GLP1 PEPTIDOMIMETICS AND USES THEREOF Regeneron Pharmaceuticals, Inc. (US) 2023-07-19 EP disclosed
WO-2022056494-A1 ANTIBODY-DRUG CONJUGATES COMPRISING GLP1 PEPTIDOMIMETICS AND USES THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2022-03-17 WO disclosed
EP-0559893-B1 XANTHINE DERIVATIVE KYOWA HAKKO KOGYO KK (JP) 1999-02-03 EP disclosed
US-5756735-A ADENOSINE A2 RECEPTOR ANTAGONISTS KYOWA HAKKO KOGYO CO., LTD. (JP) 1998-05-26 US disclosed
EP-0559893-A1 XANTHINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-09-15 EP disclosed
US-4948796-A TREATING CEREBO-VASCULARE DISEASES TOYAMA CHEMICAL CO., LTD. (JP) 1990-08-14 US disclosed