SCHEMBL18131828

SCHEMBL18131828

COc1cc(OC)c(F)c(C=Cc2cnc(Nc3c(C)cccc3[N+](=O)[O-])nc2)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 10/20 0.46
▸ FGFR1 P11362 6/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ FGFR2 P21802 2/20 0.40
▸ FGFR3 P22607 2/20 0.40
▸ CYP19A1 P11511 1/20 0.38
▸ MAPK1 P28482 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 4/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ PLK1 P53350 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ PTK2 Q05397 1/20 0.35

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
SCHEMBL18131827 1.00 FGFR4 (0.46) FGFR4FGFR1CYP3A4CYP2D6CYP2C9
SCHEMBL18131714 0.89 FGFR4 (0.47) FGFR4FGFR1CYP3A4CYP2D6CYP2C9
SCHEMBL18131713 0.89 FGFR4 (0.47) FGFR4FGFR1CYP3A4CYP2D6CYP2C9
SCHEMBL21386671 0.82 FGFR4 (0.64) FGFR4FGFR1CYP3A4CYP2D6CYP2C9
SCHEMBL18131690 0.80 FGFR4 (0.50) FGFR4FGFR1CYP3A4CYP2D6CYP2C9
SCHEMBL21756608 0.79 FGFR4 (0.39) FGFR4FGFR1CYP3A4CYP2D6CYP2C9
SCHEMBL21386670 0.79 FGFR4 (0.47) FGFR4FGFR1CYP3A4CYP2D6CYP2C9
SCHEMBL18131701 0.77 TSHR (0.43) CYP3A4CYP2C19ALDH1A1MAPTMEN1
SCHEMBL18131743 0.76 TSHR (0.42) FGFR4FGFR1CYP3A4CYP2D6CYP2C9
SCHEMBL21756495 0.76 FGFR4 (0.66) FGFR4FGFR1CYP3A4CYP2D6CYP2C9

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
WO-2016164703-A1 FGFR4 INHIBITORS EISAI R & D MANAGEMENT CO., LTD. (JP) 2016-10-13 — — WO disclosed
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