SCHEMBL19365311

SCHEMBL19365311

COc1cc(NC(=O)N(c2nc(-c3cccc(Cl)c3)ccc2N)C2CCCCC2)ncn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.39
▸ TP53 P04637 2/20 0.37
▸ GRM5 P41594 3/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ FAAH O00519 1/20 0.36
▸ FGFR4 P22455 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ ALOX5AP P20292 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ MCHR1 Q99705 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ SYK P43405 1/20 0.35
▸ CSNK1D P48730 1/20 0.34
▸ CSNK1E P49674 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ ATR Q13535 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.34

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
SCHEMBL19365308 0.90 FGFR4 (0.35) TP53FAAHFGFR4CYP2C9ALOX5AP
SCHEMBL19365705 0.90 MAP4K4 (0.38) FAAHFGFR4CYP2C9ALOX5APKCNH2
SCHEMBL19670449 0.89 KDR (0.40) FAAHMCHR1
SCHEMBL19365374 0.88 MCHR1 (0.41) FAAHFGFR4CYP2C9ALOX5APKCNH2
SCHEMBL19365601 0.88 CNR1 (0.36) CNR2GRM5CNR1FAAHFGFR4
SCHEMBL19365616 0.88 P2RY1 (0.40) CNR2TP53GRM5CNR1MCHR1
SCHEMBL19365450 0.88 HDAC1 (0.41) FAAHFGFR4CYP2C9ALOX5APKCNH2
SCHEMBL19365497 0.85 ALOX5AP (0.40) TP53FAAHFGFR4CYP2C9ALOX5AP
SCHEMBL19670248 0.85 ATR (0.41) FAAHFGFR4KCNH2SYKATR
SCHEMBL19670256 0.85 FGFR4 (0.36) TP53FAAHFGFR4CYP2C9ALOX5AP

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-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
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