SCHEMBL7429478

SCHEMBL7429478

Cc1nc2cc(N)ccc2c(=O)n1Cc1ccc(C#N)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
ALDH1A1 P00352 1/20 0.61
HPGD P15428 1/20 0.61
HSD17B10 Q99714 1/20 0.61
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
DCTPP1 Q9H773 1/20 0.45
HDAC1 Q13547 3/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
APP P05067 1/20 0.44
RAD52 P43351 1/20 0.43
POLB P06746 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42

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
SCHEMBL7425922 0.82 MEN1 (0.67) ALDH1A1KMT2AMEN1DCTPP1POLB
SCHEMBL23555539 0.79 MEN1 (0.47) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL23555543 0.77 MEN1 (0.46) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL7428683 0.77 BRPF1 (0.52) SMN1; SMN2ALDH1A1HDAC1HDAC2HDAC11
SCHEMBL5863348 0.75 KDM4E (0.81) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL2314577 0.73 SMN1; SMN2 (0.80) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL7979565 0.73 HDAC8 (0.46) KDM4EALDH1A1HDAC1HDAC8HDAC6
SCHEMBL7981152 0.71 CYP11B1 (0.41) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL20508483 0.70 DYRK1A (0.74)
SCHEMBL1882530 0.70 SMN1; SMN2 (0.62) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10

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