SCHEMBL9158259

SCHEMBL9158259

Cc1cccc(NC(=O)NCC(=O)N(CC(=O)N(C)c2ccc(N(C)C)cc2)c2ccccc2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
THRB P10828 1/20 0.45
PKM P14618 1/20 0.45
KCNK3 O14649 2/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NOX1 Q9Y5S8 1/20 0.41
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
PPIB P23284 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
SCHEMBL9161964 0.96 KMT2A (0.48) MEN1KMT2ATHRBPKMNPC1
SCHEMBL9152533 0.95 NPC1 (0.50) MEN1KMT2ATHRBPKMNPC1
SCHEMBL9160125 0.93 KMT2A (0.47) MEN1KMT2ATHRBPKMNPC1
SCHEMBL9153700 0.92 ALDH1A1 (0.44) MEN1KMT2ATHRBPKMNPC1
SCHEMBL9159125 0.92 ALDH1A1 (0.51) MEN1KMT2ATHRBPKMNPC1
SCHEMBL9153540 0.90 NPC1 (0.54) MEN1KMT2ATHRBPKMKCNK3
SCHEMBL9152283 0.88 MEN1 (0.42) MEN1KMT2ATHRBPKMNPC1
SCHEMBL9134216 0.88 MEN1 (0.43) MEN1KMT2ATHRBPKMKCNK3
SCHEMBL9159137 0.88 KMT2A (0.43) MEN1KMT2ATHRBPKMKCNK3
SCHEMBL9157309 0.88 MEN1 (0.46) MEN1KMT2ATHRBPKMNPC1

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