SCHEMBL8030047

SCHEMBL8030047

Cn1c(Cc2ccc(C#N)cc2)cc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
IDH1 O75874 1/20 0.44
CYP2A6 P11509 1/20 0.43
TRPA1 O75762 1/20 0.42
SLC5A2 P31639 1/20 0.42
ALB P02768 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41

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
SCHEMBL6632565 0.87 KMT2A (0.45) KMT2ACYP2A6TRPA1ALB
SCHEMBL8016775 0.82 BRPF1 (0.41) KMT2AIDH1CYP2A6LOXL2
SCHEMBL8801682 0.80 SLC5A2 (0.44) KMT2ASLC5A2
SCHEMBL8032940 0.77 KCNJ1 (0.48) KMT2AIDH1
SCHEMBL8801466 0.77 SLC5A2 (0.45) SLC5A2
SCHEMBL28274303 0.74 KMT2A (0.67) KMT2ATRPA1ALB
SCHEMBL1092961 0.73 KDM1A (0.55) KMT2A
SCHEMBL8016504 0.72 BRPF1 (0.52)
SCHEMBL1882418 0.70 KMT2A (0.50) KMT2A
SCHEMBL6636737 0.70 ALB (0.61) KMT2ATRPA1ALB

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