SCHEMBL1385847

SCHEMBL1385847

CN(Cc1ccccc1)c1ncc(C(=O)NCCC(O)c2ccc(Cl)cc2)c(-c2ccccc2)n1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASR P41180 7/20 0.55
RIPK1 Q13546 8/20 0.43
THRB P10828 1/20 0.42
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TMEM97 Q5BJF2 2/20 0.41
SIGMAR1 Q99720 2/20 0.41

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
SCHEMBL1385867 0.94 CASR (0.59) CASRRIPK1THRB
SCHEMBL1386100 0.92 CASR (0.56) CASRRIPK1THRB
SCHEMBL1386625 0.90 CASR (0.59) CASRRIPK1THRBSIGMAR1
SCHEMBL1383223 0.89 CASR (0.48) CASRRIPK1TMEM97SIGMAR1
SCHEMBL1383373 0.89 CASR (0.55) CASRTHRBTMEM97SIGMAR1
SCHEMBL1383335 0.86 CASR (0.54) CASRRIPK1THRB
SCHEMBL1385344 0.86 CASR (0.54) CASRTHRB
SCHEMBL1383579 0.85 CASR (0.55) CASRTHRB
SCHEMBL1384253 0.84 CASR (0.51) CASRTHRBLMNA
SCHEMBL1385738 0.81 CASR (0.46) CASRTMEM97SIGMAR1

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
JP-4825686-B2 2011-11-30 JP claimed