SCHEMBL15418090

SCHEMBL15418090

CCCC(=O)C(Cc1ccc(-c2ccccc2C#N)nc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.39
ATM Q13315 1/20 0.39
ATR Q13535 1/20 0.39
BRS3 P32247 1/20 0.39
MME P08473 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
FFAR1 O14842 1/20 0.38
AKR1B1 P15121 1/20 0.38
FAAH O00519 1/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
PTPN1 P18031 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
WNT3A P56704 2/20 0.36
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
S1PR1 P21453 2/20 0.35
ECE1 P42892 1/20 0.35
CTSA P10619 1/20 0.35
GRIA2 P42262 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
SCHEMBL11897519 0.94 TSHR (0.40) PRKDCATMATRBRS3MME
SCHEMBL15418005 0.93 FAAH (0.40) PRKDCATMATRBRS3MME
SCHEMBL15418015 0.91 BRS3 (0.40) PRKDCATMATRBRS3MME
SCHEMBL1374077 0.90 MAPT (0.39) PRKDCATMATRBRS3FFAR1
SCHEMBL16457755 0.90 PRKDC (0.37) PRKDCATMATRBRS3MME
SCHEMBL1370921 0.84 TSHR (0.39) PRKDCATMATRBRS3MME
SCHEMBL15418062 0.83 TSHR (0.36) PRKDCATMATRBRS3MME
SCHEMBL8317308 0.83 MME (0.54) BRS3MMEFFAR1AKR1B1PTPN1
SCHEMBL16458596 0.81 PPARG (0.36) PRKDCATMATRBRS3MME
SCHEMBL8316083 0.78 MME (0.53) BRS3MMEFFAR1AKR1B1PTPN1

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
EP-2687523-A1 NOVEL PHENYLPYRIDINE DERIVATIVE AND DRUG CONTAINING SAME Kowa Company Ltd. (JP) 2014-01-22 EP disclosed