SCHEMBL7428464

SCHEMBL7428464

CNc1ccc(N2CCCCC2=O)cc1N

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
GAA P10253 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
F10 P00742 3/20 0.41
TNIK Q9UKE5 1/20 0.41
AKR1C3 P42330 2/20 0.40
LMNA P02545 2/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
PRKCI P41743 1/20 0.40

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
SCHEMBL7372925 0.80 MAPT (0.53) BRD9KMT2AMEN1GAAALDH1A1
SCHEMBL76032 0.77 BRD9 (0.57) BRD9KMT2AMEN1GAAALDH1A1
SCHEMBL6982671 0.77 BRD9 (0.47) BRD9KMT2AMEN1GAAALDH1A1
SCHEMBL5388748 0.76 ALDH1A1 (0.51) BRD9GAAALDH1A1HPGDF10
SCHEMBL21485052 0.76 S100B (0.59) KMT2AMEN1GAAALDH1A1HPGD
SCHEMBL24140826 0.76 ALDH1A1 (0.43) BRD9KMT2AMEN1GAAALDH1A1
SCHEMBL15157023 0.76 ALDH1A1 (0.54) BRD9KMT2AMEN1GAAALDH1A1
Hydrochloric Acid SCHEMBL18955263 0.76 BRD9 (0.46) BRD9KMT2AMEN1GAAALDH1A1
SCHEMBL6986476 0.76 BRD9 (0.46) BRD9KMT2AMEN1GAAALDH1A1
SCHEMBL8270132 0.75 ALDH1A1 (0.51) BRD9ALDH1A1HPGDF10AKR1C3

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 4 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
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US disclosed
WO-1999054313-A1 BICYCLIC COMPOUNDS HAVING AN ANTI-THROMBITIC EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-28 WO disclosed