SCHEMBL18826767

SCHEMBL18826767

Nc1ccc(-c2nc3sc(/N=N\c4ccc(C(F)(F)F)cc4)cc3s2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.41
▸ MAPT P10636 6/20 0.40
▸ NPC1 O15118 5/20 0.40
▸ GAA P10253 5/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ GLA P06280 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ NFKB1 P19838 2/20 0.40
▸ GFER P55789 2/20 0.40
▸ NFKB2 Q00653 2/20 0.40
▸ RELA Q04206 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ APP P05067 11/20 0.40
▸ MMP9 P14780 1/20 0.37
▸ MMP8 P22894 1/20 0.37
▸ TP53 P04637 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL19267923 0.86 KIF11 (0.36) KIF11MAPTNPC1RAB9AMEN1
SCHEMBL17278991 0.83 FFAR1 (0.38) MAPTNPC1GAAKDM4EALDH1A1
SCHEMBL19267925 0.83 SCN4A (0.48) MAPTNPC1GAARAB9ANFKB1
SCHEMBL18826728 0.82 FFAR1 (0.36) NPC1GAAALDH1A1TP53
SCHEMBL17278994 0.82 FFAR1 (0.38) NPC1GAAALDH1A1
SCHEMBL19227693 0.81 SULT1A1 (0.48) MAPTNPC1GAAKDM4ERAB9A
SCHEMBL17278986 0.81 APP (0.43) MAPTNPC1RAB9AALDH1A1APP
SCHEMBL17278979 0.81 APP (0.34) MAPTNPC1RAB9AALDH1A1POLB
SCHEMBL17278987 0.80 FFAR1 (0.36) NPC1GAAKDM4ERAB9AALDH1A1
SCHEMBL17278993 0.80 FFAR1 (0.35) NPC1GAAALDH1A1TP53

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-9644148-B2 Liquid Crystal composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-09 — — US disclosed
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