SCHEMBL2299736

SCHEMBL2299736

O=C(CC1CCN(C(=O)C2CC2)C1)NNC(=O)Nc1cc(F)c(Br)cc1F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.41
THRB P10828 1/20 0.37
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
FASN P49327 7/20 0.36
GAA P10253 1/20 0.35
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
FPR3 P25089 1/20 0.33
FPR2 P25090 1/20 0.33
FPR1 P21462 1/20 0.33

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
SCHEMBL14152219 1.00 EPHX2 (0.41) EPHX2THRBPOLBKMT2AFASN
SCHEMBL14152164 0.91 EPHX2 (0.40) EPHX2THRBKMT2AFASNGAA
SCHEMBL14152019 0.91 EPHX2 (0.40) EPHX2THRBFASNGAAPARP1
SCHEMBL14152248 0.84 EPHX2 (0.39) EPHX2THRBFASNGAAPARP1
SCHEMBL14152172 0.84 EPHX2 (0.43) EPHX2THRBFASNGAAFPR2
SCHEMBL14152226 0.80 EPHX2 (0.40) EPHX2THRBFASNGAAFPR2
SCHEMBL2298365 0.80 THRB (0.44) EPHX2THRBPOLBKMT2AGAA
SCHEMBL2303512 0.79 HTT (0.47) EPHX2KMT2A
SCHEMBL14151936 0.79 HTT (0.47) EPHX2KMT2A
SCHEMBL14151661 0.79 ALDH1A1 (0.42) EPHX2THRBPOLBKMT2AGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2538787-A1 TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline LLC (US) 2013-01-02 EP disclosed
WO-2011103546-A1 TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-08-25 WO disclosed