SCHEMBL8028137

SCHEMBL8028137

Cn1c(Cc2ccc(C#N)cc2)nc2cc(N)ccc21

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.48
KDM4E B2RXH2 2/20 0.47
ACSL1 P33121 2/20 0.45
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PPARG P37231 1/20 0.42
RAD52 P43351 1/20 0.41
RORC P51449 1/20 0.41
IDH1 O75874 4/20 0.40
F2 P00734 3/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
GRM2 Q14416 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL6157976 0.89 NPC1 (0.59) CNR2KDM4EACSL1NPC1GAA
SCHEMBL7426210 0.83 F2 (0.46) CNR2KDM4ERAD52IDH1F2
SCHEMBL6827567 0.82 KDM4E (0.66) CNR2KDM4EACSL1NPC1GAA
SCHEMBL8029668 0.81 PIK3CD (0.46) ACSL1RORCF2
SCHEMBL8029974 0.80 ALDH1A1 (0.55) CNR2SMN1; SMN2KMT2A
SCHEMBL8029791 0.78 RORC (0.45) CNR2ACSL1RORCIDH1F2
SCHEMBL8027395 0.78 F2 (0.52) SMN1; SMN2F2
SCHEMBL8028389 0.78 BRD9 (0.45) ACSL1RORCIDH1KMT2AGRM2
SCHEMBL12217711 0.77 KDM4E (0.56) KDM4ENPC1GAARAB9ASMN1; SMN2
SCHEMBL8028421 0.77 F2 (0.49) CNR2ACSL1SMN1; SMN2RORCF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1060166-A1 FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS Boehringer Ingelheim Pharma KG (DE) 2000-12-20 EP disclosed
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US disclosed
WO-1999040072-A1 FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-08-12 WO disclosed