SCHEMBL9153545

SCHEMBL9153545

Cc1ccc(NC(=O)CN(C(=O)CN)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
POLB P06746 2/20 0.49
KMT2A Q03164 3/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 2/20 0.46
RORC P51449 1/20 0.45
GAA P10253 1/20 0.45
MEN1 O00255 1/20 0.44

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
SCHEMBL9154194 0.90 MEN1 (0.50) KMT2ALMNAL3MBTL1GAAMEN1
SCHEMBL9158114 0.86 KMT2A (0.50) ALDH1A1POLBKMT2ASMN1; SMN2NPC1
SCHEMBL4008681 0.82 HPGD (0.56) ALDH1A1POLBKMT2ASMN1; SMN2NPC1
SCHEMBL4008336 0.82 HPGD (0.59) ALDH1A1POLBKMT2ALMNASMN1; SMN2
SCHEMBL4518662 0.82 ROCK2 (0.47) ALDH1A1POLBKMT2ALMNASMN1; SMN2
SCHEMBL9158053 0.81 HPGD (0.51) ALDH1A1POLBLMNASMN1; SMN2NPC1
SCHEMBL9157966 0.80 ALDH1A1 (0.58) ALDH1A1POLBKMT2ASMN1; SMN2NPC1
SCHEMBL8860050 0.80 ALDH1A1 (0.43) ALDH1A1KMT2ASMN1; SMN2NPC1TP53
SCHEMBL3847252 0.79 MEN1 (0.58) ALDH1A1POLBKMT2ASMN1; SMN2NPC1
SCHEMBL13102343 0.79 ALDH1A1 (0.58) ALDH1A1POLBKMT2ALMNASMN1; 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