SCHEMBL9158341

SCHEMBL9158341

Cc1cccc(NC(=O)NCC(=O)N(CC(=O)N(C)c2cc(F)ccc2F)c2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

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
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
BDKRB2 P30411 2/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
OPRM1 P35372 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
SCHEMBL9158064 0.93 MEN1 (0.41) MEN1KMT2ATHRBPKMSMN1; SMN2
SCHEMBL9153478 0.92 MEN1 (0.43) MEN1KMT2ATHRBPKMSMN1; SMN2
SCHEMBL9153700 0.89 ALDH1A1 (0.44) MEN1KMT2ATHRBPKMSMN1; SMN2
SCHEMBL9159137 0.89 KMT2A (0.43) MEN1KMT2ATHRBPKMSMN1; SMN2
SCHEMBL9152283 0.87 MEN1 (0.42) MEN1KMT2ATHRBPKMSMN1; SMN2
SCHEMBL9161964 0.86 KMT2A (0.48) MEN1KMT2ATHRBPKMSMN1; SMN2
SCHEMBL9160125 0.85 KMT2A (0.47) MEN1KMT2ATHRBPKMSMN1; SMN2
SCHEMBL9157884 0.84 BDKRB2 (0.43) MEN1KMT2ATHRBPKMSMN1; SMN2
SCHEMBL9152533 0.84 NPC1 (0.50) MEN1KMT2ATHRBPKMSMN1; SMN2
SCHEMBL9159125 0.83 ALDH1A1 (0.51) 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