SCHEMBL529561

SCHEMBL529561

CCS(=O)(=O)N(Cc1ccc(NC(=O)c2ccc(C#N)cc2)cc1)c1ccc(C)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SIRT2 Q8IXJ6 7/20 0.47
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
GALR3 O60755 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 3/20 0.45
HTT P42858 1/20 0.45
RORC P51449 2/20 0.45
ROCK2 O75116 1/20 0.45
NPSR1 Q6W5P4 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
SCHEMBL528483 0.91 MAPT (0.54) SMN1; SMN2ALDH1A1MEN1KMT2ASIRT2
SCHEMBL528642 0.90 LMNA (0.48) SMN1; SMN2SIRT2LMNAPOLBMAPT
SCHEMBL529259 0.89 MAPT (0.55) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL528374 0.89 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1MEN1KMT2ASIRT2
SCHEMBL528511 0.87 KMT2A (0.52) SMN1; SMN2ALDH1A1MEN1KMT2ASIRT2
SCHEMBL528823 0.87 MAPT (0.53) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL528969 0.87 MAPT (0.60) SMN1; SMN2ALDH1A1SIRT2LMNAPOLB
SCHEMBL528087 0.87 KMT2A (0.55) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL528399 0.85 MAPT (0.56) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL528262 0.83 MAPT (0.42) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA

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
WO-2012014127-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO disclosed