SCHEMBL9334099

SCHEMBL9334099

CC#Cc1ccc(-c2ccc(-c3ccc(CCC)cc3F)cc2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.47
▸ RAB9A P51151 6/20 0.47
▸ NPC1 O15118 5/20 0.47
▸ TP53 P04637 2/20 0.47
▸ PKM P14618 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ MAPT P10636 4/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ HPGD P15428 3/20 0.37
▸ GRM5 P41594 1/20 0.37
▸ MITF O75030 1/20 0.37
▸ KLF5 Q13887 1/20 0.37
▸ THRB P10828 2/20 0.37
▸ NFKB1 P19838 2/20 0.37
▸ NFKB2 Q00653 2/20 0.37
▸ RELA Q04206 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 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
SCHEMBL9335581 0.86 RARB (0.39) SMN1; SMN2RAB9ANPC1TP53PKM
SCHEMBL9334037 0.85 CYP1A1 (0.41) SMN1; SMN2RAB9ANPC1TP53PKM
SCHEMBL10462529 0.85 SMN1; SMN2 (0.63) SMN1; SMN2RAB9ANPC1TP53PKM
SCHEMBL10462605 0.81 SMN1; SMN2 (0.59) SMN1; SMN2RAB9ANPC1TP53PKM
SCHEMBL10463006 0.81 SMN1; SMN2 (0.59) SMN1; SMN2RAB9ANPC1TP53PKM
SCHEMBL9334142 0.80 GRM5 (0.38) SMN1; SMN2RAB9ANPC1TP53PKM
SCHEMBL9337254 0.80 RARB (0.43) SMN1; SMN2RAB9ANPC1TP53PKM
SCHEMBL10461961 0.80 SMN1; SMN2 (0.59) SMN1; SMN2RAB9ANPC1TP53PKM
SCHEMBL10460928 0.80 SMN1; SMN2 (0.59) SMN1; SMN2RAB9ANPC1TP53PKM
SCHEMBL9337526 0.79 RARB (0.42) SMN1; SMN2RAB9ANPC1TP53PKM

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-5328637-A Electrooptical devices; deformation of aligned phases and supertwisted nematic applications; miscibility, solubility HOFFMANN-LA ROCHE INC. (US) 1994-07-12 — — US disclosed
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