SCHEMBL9312876

SCHEMBL9312876

COc1ccccc1C(=O)Nc1ccc2c(c1)NC(=O)CC2(C)C

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57
CASP3 P42574 2/20 0.55
KCNK3 O14649 6/20 0.55
KCNK9 Q9NPC2 6/20 0.55
MAPT P10636 4/20 0.52
RAB9A P51151 4/20 0.52
NPC1 O15118 3/20 0.52
TP53 P04637 2/20 0.52
TSHR P16473 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPK1 P28482 1/20 0.51
BRPF1 P55201 1/20 0.51
ACHE P22303 2/20 0.50
TNKS O95271 1/20 0.49
TNKS2 Q9H2K2 1/20 0.49
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL9312847 0.89 TNKS (0.48) POLBKMT2AMEN1RXFP1CASP3
SCHEMBL9312251 0.85 TNKS (0.52) POLBKMT2AMEN1RAB9ANPC1
SCHEMBL9314224 0.84 RAB9A (0.56) POLBKMT2AMEN1MAPTRAB9A
SCHEMBL9312854 0.84 RXFP1 (0.46) POLBKMT2AMEN1RXFP1CASP3
SCHEMBL9312829 0.83 TNKS (0.47) POLBKMT2AMEN1RXFP1CASP3
SCHEMBL10477974 0.83 POLB (0.61) POLBKMT2AMEN1RXFP1CASP3
SCHEMBL9312911 0.81 MAPT (0.51) POLBKMT2AMEN1MAPTRAB9A
SCHEMBL9313863 0.81 MAPT (0.59) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL9313855 0.81 MAPT (0.59) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL10587722 0.80 KMT2A (0.56) KMT2AMEN1KCNK9MAPTRAB9A

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-5373019-A Pharmaceutical lactam compositions for inhibition of erythrocyte and thrombocyte aggregation BOEHRINGER MANNHEIM GMBH (DE) 1994-12-13 US disclosed
US-4985448-A Ureidoindoles, pharmaceutical compositions and methods for erythrocyte and thrombocyte aggregation inhibition BOEHRINGER MANNHEIM GMBH (DE) 1991-01-15 US disclosed
EP-0327986-A2 Medicaments containing lactams, substituted lactams and process for their preparation Roche Diagnostics GmbH (DE) 1989-08-16 EP disclosed