SCHEMBL9154018

SCHEMBL9154018

Cc1ccc(N(C)C(=O)CN(C(=O)CN2C(=O)c3ccccc3C2=O)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
LMNA P02545 3/20 0.46
POLB P06746 3/20 0.46
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
RAD52 P43351 2/20 0.46
GAA P10253 2/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TP53 P04637 1/20 0.45
RECQL P46063 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL8860020 0.95 ALDH1A1 (0.55) ALDH1A1LMNAPOLBKDM4EKMT2A
SCHEMBL9152697 0.93 ALDH1A1 (0.50) ALDH1A1LMNAPOLBKDM4EKMT2A
SCHEMBL9158369 0.91 ALDH1A1 (0.52) ALDH1A1LMNAPOLBKDM4EKMT2A
SCHEMBL9157633 0.91 ALDH1A1 (0.48) ALDH1A1LMNAPOLBKDM4EKMT2A
SCHEMBL9156680 0.90 ALDH1A1 (0.47) ALDH1A1LMNAPOLBKDM4EKMT2A
SCHEMBL9159392 0.89 ALDH1A1 (0.55) ALDH1A1POLBKMT2AMEN1GAA
SCHEMBL9131799 0.86 POLB (0.46) ALDH1A1LMNAPOLBKDM4EKMT2A
SCHEMBL9153600 0.85 ALDH1A1 (0.45) ALDH1A1LMNAPOLBKDM4EKMT2A
SCHEMBL9133896 0.85 ALDH1A1 (0.47) ALDH1A1LMNAPOLBKDM4EKMT2A
SCHEMBL9152750 0.84 ALDH1A1 (0.46) ALDH1A1LMNAPOLBKDM4EKMT2A

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