SCHEMBL9158010

SCHEMBL9158010

CCc1cccc(NC(=O)NCC(=O)N(CC(=O)N(C)c2ccccc2)c2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIB P23284 1/20 0.44
MAPT P10636 6/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 2/20 0.43
ALOX15 P16050 2/20 0.43
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40

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
SCHEMBL9155935 0.92 PPIB (0.44) PPIBMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL9158391 0.91 HPSE (0.46) PPIBMAPTRAB9AMEN1KMT2A
SCHEMBL29422582 0.91 HPSE (0.46) PPIBMAPTRAB9AMEN1KMT2A
SCHEMBL9159956 0.90 PPIB (0.43) PPIBMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL9158333 0.89 GAA (0.46) PPIBMAPTRAB9AMEN1KMT2A
SCHEMBL9155523 0.89 PPIB (0.42) PPIBMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL9155529 0.89 PPIB (0.42) PPIBMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL9154435 0.88 MAPT (0.44) PPIBMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9155456 0.88 PPIB (0.41) PPIBMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL9153916 0.87 PPIB (0.41) PPIBMAPTSMN1; SMN2RAB9AMEN1

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