SCHEMBL10587722

SCHEMBL10587722

COc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)CC3(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
NPC1 O15118 9/20 0.53
RAB9A P51151 9/20 0.53
TP53 P04637 6/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
ALOX15 P16050 1/20 0.53
ALDH1A1 P00352 4/20 0.53
CYP3A4 P08684 2/20 0.53
CYP1A2 P05177 1/20 0.53
GAA P10253 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
PKM P14618 2/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL9379462 0.93 RAB9A (0.53) KMT2AMEN1NPC1RAB9ATP53
SCHEMBL9314264 0.87 MEN1 (0.53) KMT2AMEN1NPC1RAB9ATP53
SCHEMBL9312256 0.87 RARB (0.51) KMT2AMEN1ALDH1A1CYP3A4CYP1A2
SCHEMBL9866488 0.86 TNKS (0.52) KMT2AMEN1NPC1RAB9ATP53
SCHEMBL9312209 0.85 NPC1 (0.56) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL9865756 0.85 MEN1 (0.55) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL9314211 0.84 MEN1 (0.50) KMT2AMEN1NPC1RAB9ACYP3A4
SCHEMBL9313154 0.84 TNKS (0.50) KMT2AMEN1RAB9ASMN1; SMN2CYP3A4
SCHEMBL9313806 0.83 ADORA3 (0.48) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL9312238 0.83 RARB (0.56) KMT2AMEN1NPC1RAB9ATP53

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0327986-A2 Medicaments containing lactams, substituted lactams and process for their preparation Roche Diagnostics GmbH (DE) 1989-08-16 EP claimed