SCHEMBL11490910

SCHEMBL11490910

N#Cc1c(-c2ccccc2)cc(N2CCS(=O)(=O)CC2)nc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ ADORA2A P29274 4/20 0.40
▸ ADORA1 P30542 2/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ SQOR Q9Y6N5 2/20 0.39
▸ KDM4E B2RXH2 6/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ HPGD P15428 5/20 0.38
▸ NPSR1 Q6W5P4 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ LMNA P02545 3/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MET P08581 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ HSD17B10 Q99714 2/20 0.38

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
SCHEMBL11490906 0.88 L3MBTL1 (0.40) L3MBTL1ADORA2AADORA1MAPK1SQOR
SCHEMBL11484639 0.86 KDM4E (0.49) L3MBTL1ADORA2AADORA1MAPK1SQOR
SCHEMBL11490087 0.85 MET (0.52) L3MBTL1KDM4EALDH1A1NPSR1KMT2A
SCHEMBL11485485 0.85 ADORA2A (0.50) L3MBTL1ADORA2AADORA1MAPK1SQOR
SCHEMBL11361940 0.85 ADORA2A (0.50) L3MBTL1ADORA2AADORA1MAPK1SQOR
SCHEMBL11486783 0.84 MAPT (0.50) L3MBTL1ADORA2AADORA1MAPK1SQOR
SCHEMBL11484494 0.83 L3MBTL1 (0.40) L3MBTL1ADORA2AADORA1MAPK1SQOR
SCHEMBL11354056 0.83 KDM4E (0.54) L3MBTL1ADORA2AMAPK1KDM4EALDH1A1
SCHEMBL11464145 0.83 MEN1 (0.46) L3MBTL1ADORA2AADORA1MAPK1SQOR
SCHEMBL11357456 0.81 ALDH1A1 (0.49) L3MBTL1ADORA2AADORA1MAPK1SQOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4182887-A ANTIPHLOGISTIC, ANTITHROMBOTIC BOEHRINGER INGELHEIM GMBH (DE) 1980-01-08 — — US disclosed
Send feedback