SCHEMBL7425922

SCHEMBL7425922

Cc1nc2cc([N+](=O)[O-])ccc2c(=O)n1Cc1ccc(C#N)cc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.67
KMT2A Q03164 8/20 0.67
POLB P06746 3/20 0.62
DCTPP1 Q9H773 1/20 0.52
ALDH1A1 P00352 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.44
SRC P12931 1/20 0.44
PRKACA P17612 1/20 0.44
PRKACG P22612 1/20 0.44
PRKACB P22694 1/20 0.44
NOX4 Q9NPH5 1/20 0.44

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
SCHEMBL7429478 0.82 KDM4E (0.61) MEN1KMT2APOLBDCTPP1ALDH1A1
SCHEMBL5864193 0.78 MEN1 (0.88) MEN1KMT2APOLBALDH1A1
SCHEMBL23555539 0.77 MEN1 (0.47) MEN1KMT2APOLBDCTPP1ALDH1A1
SCHEMBL7985041 0.76 KMT2A (0.53) MEN1KMT2APOLBALDH1A1SRC
SCHEMBL2315638 0.75 MEN1 (0.83) MEN1KMT2APOLBALDH1A1
SCHEMBL7968478 0.75 KMT2A (0.53) MEN1KMT2APOLBDCTPP1SRC
SCHEMBL7978416 0.75 MEN1 (0.48) MEN1KMT2APOLBDCTPP1ALDH1A1
SCHEMBL23555543 0.74 MEN1 (0.46) MEN1KMT2APOLBALDH1A1
SCHEMBL7428683 0.73 BRPF1 (0.52) ALDH1A1
SCHEMBL7353014 0.73 MAPT (0.52) MEN1KMT2ADCTPP1

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
US-6200976-B1 FOR TREATING THROMBOSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-13 US disclosed
EP-1071669-A1 BICYCLIC COMPOUNDS HAVING AN ANTI-THROMBITIC EFFECT Boehringer Ingelheim Pharma KG (DE) 2001-01-31 EP disclosed
WO-1999054313-A1 BICYCLIC COMPOUNDS HAVING AN ANTI-THROMBITIC EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-28 WO disclosed