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SCHEMBL19913169

SCHEMBL19913169

Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)cc(-n3c4ccccc4c4cc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)ccc43)c2-c2ccncc2)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 2/20 0.34
▸ S1PR3 Q99500 2/20 0.34
▸ AR P10275 1/20 0.33
▸ CYP2C9 P11712 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ GPBAR1 Q8TDU6 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ MAPK14 Q16539 1/20 0.31
▸ ELANE P08246 1/20 0.30
▸ TACR1 P25103 1/20 0.30
▸ ALOX5AP P20292 1/20 0.30
▸ FEN1 P39748 1/20 0.30

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
SCHEMBL22170411 0.96 S1PR1 (0.35) S1PR1S1PR3ARCYP2C9SCN9A
SCHEMBL19913168 0.94 LRRK2 (0.32) ARCYP2C9SCN9AGPBAR1LRRK2
SCHEMBL19909106 0.93 S1PR1 (0.35) S1PR1S1PR3ARCYP2C9SCN9A
SCHEMBL19913164 0.91 S1PR1 (0.35) S1PR1S1PR3ARCYP2C9SCN9A
SCHEMBL20925134 0.91 AR (0.36) ARCYP2C9SCN9AELANE
SCHEMBL19913167 0.90 CYP2C9 (0.32) ARCYP2C9SCN9ALRRK2ELANE
SCHEMBL19912507 0.90 AR (0.33) ARCYP2C9SCN9ATACR1
SCHEMBL26776948 0.90 AR (0.34) ARCYP2C9SCN9AELANE
SCHEMBL19909070 0.89 CYP11B1 (0.35) LRRK2MAPK14
SCHEMBL19913295 0.89 KDM4E (0.33) ARCYP2C9SCN9AALOX5APFEN1

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-20180062085-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 — — US disclosed