SCHEMBL9252487

SCHEMBL9252487

Cc1cccc(NC(=O)NCC(=O)N(CC(=O)N2CC=CCC2)c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
THRB P10828 1/20 0.41
PKM P14618 1/20 0.41
EPHX2 P34913 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.39
ALDH1A1 P00352 3/20 0.39
FAAH O00519 1/20 0.39
KCNJ6 P48051 1/20 0.38
KCNJ5 P48544 1/20 0.38
KCNJ3 P48549 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL9471547 0.88 ALDH1A1 (0.50) MEN1KMT2ATHRBPKMEPHX2
SCHEMBL9158371 0.87 RAB9A (0.51) MEN1KMT2ATHRBPKMEPHX2
SCHEMBL9159792 0.84 EPHX2 (0.50) MEN1KMT2ATHRBPKMEPHX2
SCHEMBL9156180 0.84 EPHX2 (0.43) MEN1KMT2ATHRBPKMEPHX2
SCHEMBL9159990 0.83 ALDH1A1 (0.44) MEN1KMT2ATHRBPKMEPHX2
SCHEMBL9157517 0.83 MEN1 (0.51) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL9159409 0.83 EPHX2 (0.42) MEN1KMT2ATHRBPKMEPHX2
SCHEMBL9158694 0.83 KMT2A (0.41) MEN1KMT2ATHRBPKMEPHX2
SCHEMBL9156431 0.82 EPHX2 (0.43) MEN1KMT2ATHRBPKMEPHX2
SCHEMBL9155538 0.82 ALDH1A1 (0.42) MEN1KMT2ATHRBPKMEPHX2

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