SCHEMBL9158064

SCHEMBL9158064

Cc1cccc(NC(=O)NCC(=O)N(CC(=O)N(C)c2ccc(F)cc2F)c2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
THRB P10828 1/20 0.41
PKM P14618 1/20 0.41
BDKRB2 P30411 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SAE1 Q9UBE0 1/20 0.36
UBA2 Q9UBT2 1/20 0.36

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
SCHEMBL9158341 0.93 MEN1 (0.41) MEN1KMT2ATHRBPKMBDKRB2
SCHEMBL9153478 0.92 MEN1 (0.43) MEN1KMT2ATHRBPKMBDKRB2
SCHEMBL9153700 0.89 ALDH1A1 (0.44) MEN1KMT2ATHRBPKMSMN1; SMN2
SCHEMBL9159137 0.89 KMT2A (0.43) MEN1KMT2ATHRBPKMSMN1; SMN2
SCHEMBL9161964 0.86 KMT2A (0.48) MEN1KMT2ATHRBPKMSMN1; SMN2
SCHEMBL9160125 0.85 KMT2A (0.47) MEN1KMT2ATHRBPKMSMN1; SMN2
SCHEMBL9152283 0.85 MEN1 (0.42) MEN1KMT2ATHRBPKMSMN1; SMN2
SCHEMBL9157884 0.84 BDKRB2 (0.43) MEN1KMT2ATHRBPKMBDKRB2
SCHEMBL9152533 0.84 NPC1 (0.50) MEN1KMT2ATHRBPKMSMN1; SMN2
SCHEMBL9158259 0.83 MEN1 (0.45) MEN1KMT2ATHRBPKMSMN1; SMN2

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