SCHEMBL9159409

SCHEMBL9159409

Cc1cccc(NC(=O)NCC(=O)N(CC(=O)N2CCC3(CCCC3)CC2)c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
PKM P14618 1/20 0.40
KCNJ6 P48051 1/20 0.40
KCNJ5 P48544 1/20 0.40
KCNJ3 P48549 1/20 0.40
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 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
SCHEMBL9156180 0.91 EPHX2 (0.43) EPHX2RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL9471547 0.91 ALDH1A1 (0.50) EPHX2RAB9AKMT2AALDH1A1MEN1
SCHEMBL9158371 0.90 RAB9A (0.51) EPHX2RAB9AKMT2AALDH1A1MEN1
SCHEMBL9156431 0.89 EPHX2 (0.43) EPHX2RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL9159990 0.88 ALDH1A1 (0.44) EPHX2RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL9155538 0.87 ALDH1A1 (0.42) EPHX2RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL9159792 0.85 EPHX2 (0.50) EPHX2KMT2AMEN1THRBPKM
SCHEMBL8036507 0.85 RECQL (0.43) RAB9ANPC1SMN1; SMN2KMT2AMAPK1
SCHEMBL9252487 0.83 MEN1 (0.41) EPHX2RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL9157517 0.82 MEN1 (0.51) RAB9ANPC1SMN1; SMN2KMT2AMAPK1

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