SCHEMBL9159137

SCHEMBL9159137

Cc1cccc(NC(=O)NCC(=O)N(CC(=O)N(C)c2cccc(F)c2)c2ccccc2)c1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
PKM P14618 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
TP53 P04637 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
OPRM1 P35372 1/20 0.39

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
SCHEMBL9160125 0.93 KMT2A (0.47) KMT2AMEN1THRBPKMNPC1
SCHEMBL9153700 0.92 ALDH1A1 (0.44) KMT2AMEN1THRBPKMNPC1
SCHEMBL9161964 0.92 KMT2A (0.48) KMT2AMEN1THRBPKMNPC1
SCHEMBL9152283 0.90 MEN1 (0.42) KMT2AMEN1THRBPKMNPC1
SCHEMBL9152533 0.89 NPC1 (0.50) KMT2AMEN1THRBPKMNPC1
SCHEMBL9158064 0.89 MEN1 (0.41) KMT2AMEN1THRBPKMNPC1
SCHEMBL9158341 0.89 MEN1 (0.41) KMT2AMEN1THRBPKMNPC1
SCHEMBL9157309 0.88 MEN1 (0.46) KMT2AMEN1THRBPKMNPC1
SCHEMBL9158259 0.88 MEN1 (0.45) KMT2AMEN1THRBPKMNPC1
SCHEMBL9153478 0.87 MEN1 (0.43) KMT2AMEN1THRBPKMNPC1

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
US-5382590-A Gastrointestinal disorders and nervous system disorders RHONE-POULENC RORER S.A. (FR) 1995-01-17 US disclosed