SCHEMBL9160125

SCHEMBL9160125

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

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
PKM P14618 2/20 0.47
THRB P10828 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 4/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL9161964 0.97 KMT2A (0.48) KMT2AMEN1PKMTHRBNPC1
SCHEMBL9152533 0.94 NPC1 (0.50) KMT2AMEN1PKMTHRBNPC1
SCHEMBL9159137 0.93 KMT2A (0.43) KMT2AMEN1PKMTHRBNPC1
SCHEMBL9157309 0.93 MEN1 (0.46) KMT2AMEN1PKMTHRBNPC1
SCHEMBL9158259 0.93 MEN1 (0.45) KMT2AMEN1PKMTHRBNPC1
SCHEMBL9152283 0.91 MEN1 (0.42) KMT2AMEN1PKMTHRBNPC1
SCHEMBL9159125 0.91 ALDH1A1 (0.51) KMT2AMEN1PKMTHRBNPC1
SCHEMBL9153700 0.91 ALDH1A1 (0.44) KMT2AMEN1PKMTHRBNPC1
SCHEMBL9153540 0.89 NPC1 (0.54) KMT2AMEN1PKMTHRBNPC1
SCHEMBL9134216 0.89 MEN1 (0.43) KMT2AMEN1PKMTHRBNPC1

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