SCHEMBL5416602

SCHEMBL5416602

Cn1nc(-c2ccc(O)cc2)c2c(C(F)(F)F)cccc21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 7/20 0.50
▸ RORC P51449 4/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ ESR2 Q92731 4/20 0.38
▸ P2RX7 Q99572 1/20 0.38
▸ USP7 Q93009 1/20 0.38
▸ MAPK13 O15264 1/20 0.38
▸ EIF2AK2 P19525 1/20 0.38
▸ MAPK12 P53778 1/20 0.38
▸ MAPK11 Q15759 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ AR P10275 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ NAMPT P43490 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL4028983 0.78 ESR1 (0.70) ESR1RORCESR2MEN1MAPT
SCHEMBL13106166 0.74 ALDH1A1 (0.44) KDM4EALDH1A1MAPK13EIF2AK2MAPK12
SCHEMBL4025528 0.71 NAMPT (0.50) ESR1RORCALDH1A1NAMPTKMT2A
SCHEMBL4027782 0.69 SCN9A (0.57) ESR1KDM4EALDH1A1USP7MEN1
SCHEMBL4030717 0.69 MAPK1 (0.53) ESR1KDM4EALDH1A1NAMPTMEN1
SCHEMBL15064423 0.68 NAMPT (0.53) ESR1KDM4EALDH1A1NAMPTMEN1
SCHEMBL4035239 0.68 ESR1 (0.80) ESR1RORCESR2MEN1MAPT
SCHEMBL4025667 0.67 ESR1 (1.00) ESR1RORCESR2MEN1MAPT
SCHEMBL6195448 0.66 TRPV1 (0.56) ESR1
SCHEMBL4030678 0.66 ESR1 (0.77) ESR1RORCESR2MEN1MAPT

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-7241791-B2 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2007-07-10 — — US claimed
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