SCHEMBL8030134

SCHEMBL8030134

Cn1c(Cc2ccc(C#N)cc2)nc2cc(NC(=O)C(c3nnn[nH]3)C3CCCC3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 1/20 0.43
KDM4E B2RXH2 5/20 0.43
LMNA P02545 2/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 1/20 0.42
CYP2D6 P10635 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
ACSL1 P33121 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK1 P28482 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
SCHEMBL8026022 0.78 MAPT (0.43) KMT2AALDH1A1KDM4ELMNAHSD17B10
SCHEMBL8029591 0.76 ALDH1A1 (0.44) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL8030127 0.75 NPC1 (0.42) ALDH1A1KDM4ELMNAHSD17B10NPC1
SCHEMBL8136672 0.73 NPC1 (0.43) ALDH1A1KDM4ELMNAHSD17B10NPC1
SCHEMBL8030145 0.73 ACSL1 (0.41) ACSL1
SCHEMBL8016515 0.72 ITK (0.44) KMT2AKDM4ELMNAHSD17B10ACSL1
SCHEMBL8017278 0.71 ITK (0.51) KDM4ENPC1ACSL1
SCHEMBL8029893 0.71 F2 (0.46) LMNAHSD17B10SMN1; SMN2ACSL1
SCHEMBL8027045 0.71 F2 (0.45) ALDH1A1KDM4ELMNANPC1SMN1; SMN2
SCHEMBL8029593 0.71 ACSL1 (0.42) KMT2AMEN1KDM4ELMNAHSD17B10

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