SCHEMBL19904783

SCHEMBL19904783

COCCOc1cc(C)cc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 2/20 0.39
GPR84 Q9NQS5 1/20 0.38
MEN1 O00255 1/20 0.38
SCN9A Q15858 1/20 0.36
SOD1 P00441 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
BRAF P15056 3/20 0.36
RAF1 P04049 2/20 0.36
CACNA1H O95180 1/20 0.35
F2 P00734 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
SCHEMBL24690258 0.89 GPR84 (0.44) KDM4EALDH1A1HPGDL3MBTL1HSD17B10
SCHEMBL20409004 0.85 KMT2A (0.35) KDM4EALDH1A1HPGDL3MBTL1HSD17B10
SCHEMBL30973422 0.84 SOD1 (0.37) KDM4EALDH1A1HPGDL3MBTL1GPR84
SCHEMBL30973525 0.84 SOD1 (0.37) KDM4EALDH1A1HPGDL3MBTL1GPR84
SCHEMBL16961046 0.83 FAAH (0.42) L3MBTL1GPR84SCN9A
SCHEMBL13699127 0.83 TP53 (0.44) ALDH1A1L3MBTL1GPR84SCN9ASOD1
SCHEMBL16094031 0.81 HTT (0.42) KDM4EALDH1A1HPGDL3MBTL1HSD17B10
SCHEMBL1012090 0.81 ALDH1A1 (0.49) KDM4EALDH1A1HPGDL3MBTL1HSD17B10
SCHEMBL19399855 0.81 MEN1 (0.45) KDM4EALDH1A1KMT2AHTTMEN1
SCHEMBL3440051 0.81 MEN1 (0.49) KDM4EALDH1A1KMT2AMEN1

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-2970134-B1 PYRAZOLE DERIVATIVES AS PRMT1 INHIBITORS AND USES THEREOF EPIZYME INC (US) 2018-02-28 EP disclosed