SCHEMBL8177012

SCHEMBL8177012

CCCCCNC(=O)c1ccc2c(c1)/C(=C(/Nc1ccc(CN(C)C)cc1)c1ccccc1)C(=O)N2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.42
TMEM97 Q5BJF2 5/20 0.42
SIGMAR1 Q99720 5/20 0.42
ROCK2 O75116 5/20 0.41
PPARA Q07869 2/20 0.41
PPARG P37231 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 2/20 0.40
PAK4 O96013 1/20 0.40
CYP2C19 P33261 1/20 0.39
OPRM1 P35372 1/20 0.38
NAMPT P43490 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL8177015 1.00 NAAA (0.42) NAAATMEM97SIGMAR1ROCK2PPARA
SCHEMBL8192360 0.99 NAAA (0.43) NAAATMEM97SIGMAR1ROCK2PPARA
SCHEMBL1116349 0.99 NAAA (0.43) NAAATMEM97SIGMAR1ROCK2PPARA
SCHEMBL8192365 0.99 NAAA (0.43) NAAATMEM97SIGMAR1ROCK2PPARA
SCHEMBL1116363 0.99 NAAA (0.43) NAAATMEM97SIGMAR1ROCK2PPARA
SCHEMBL436992 0.97 TMEM97 (0.42) TMEM97SIGMAR1ROCK2KDM4EMEN1
SCHEMBL436993 0.97 TMEM97 (0.42) TMEM97SIGMAR1ROCK2KDM4EMEN1
SCHEMBL6985636 0.94 ROCK2 (0.42) TMEM97SIGMAR1ROCK2CYP3A4PAK4
SCHEMBL6985634 0.94 ROCK2 (0.42) TMEM97SIGMAR1ROCK2CYP3A4PAK4
SCHEMBL8176218 0.90 TDP1 (0.41) TMEM97SIGMAR1PPARAPPARGMEN1

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-2000073297-A1 SUBSTITUTED INDOLINONE AS TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-12-07 WO disclosed