SCHEMBL11464145

SCHEMBL11464145

N#Cc1c(-c2ccccc2)cc(N2CCSCC2)nc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ RXFP1 Q9HBX9 2/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ ADORA2A P29274 4/20 0.41
▸ ADORA1 P30542 3/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ KDM4E B2RXH2 5/20 0.40
▸ HPGD P15428 4/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ SQOR Q9Y6N5 2/20 0.40
▸ NPSR1 Q6W5P4 4/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ AR P10275 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL11484639 0.88 KDM4E (0.49) MEN1KMT2ARXFP1L3MBTL1ADORA2A
SCHEMBL11361940 0.87 ADORA2A (0.50) MEN1KMT2ARXFP1L3MBTL1ADORA2A
SCHEMBL11485485 0.87 ADORA2A (0.50) MEN1KMT2ARXFP1L3MBTL1ADORA2A
SCHEMBL11486783 0.86 MAPT (0.50) RXFP1L3MBTL1ADORA2AADORA1MAPK1
SCHEMBL11490087 0.85 MET (0.52) MEN1KMT2AL3MBTL1ALDH1A1KDM4E
SCHEMBL11354056 0.85 KDM4E (0.54) L3MBTL1ADORA2AMAPK1ALDH1A1KDM4E
SCHEMBL11357456 0.83 ALDH1A1 (0.49) MEN1KMT2AL3MBTL1ADORA2AADORA1
SCHEMBL11490906 0.83 L3MBTL1 (0.40) MEN1KMT2ARXFP1L3MBTL1ADORA2A
SCHEMBL11490910 0.83 L3MBTL1 (0.40) MEN1KMT2ARXFP1L3MBTL1ADORA2A
SCHEMBL11484494 0.83 L3MBTL1 (0.40) MEN1KMT2ARXFP1L3MBTL1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4224322-A ANTICOAGULANTS, ANTIPHLOGISTICS BOEHRINGER INGELHEIM GMBH (DE) 1980-09-23 — — US disclosed
US-4182887-A ANTIPHLOGISTIC, ANTITHROMBOTIC BOEHRINGER INGELHEIM GMBH (DE) 1980-01-08 — — US disclosed
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