SCHEMBL9698530

SCHEMBL9698530

CCCCCCCCCCc1ccc(-c2ccc3cc(O)ccc3c2)nc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.76
▸ NPC1 O15118 8/20 0.76
▸ SMN1; SMN2 Q16637 8/20 0.76
▸ MAPT P10636 3/20 0.76
▸ STAT3 P40763 1/20 0.76
▸ ATM Q13315 1/20 0.76
▸ L3MBTL1 Q9Y468 2/20 0.59
▸ CASP3 P42574 2/20 0.59
▸ SENP8 Q96LD8 2/20 0.59
▸ SENP7 Q9BQF6 2/20 0.59
▸ SENP6 Q9GZR1 2/20 0.59
▸ NFKB1 P19838 4/20 0.56
▸ NFKB2 Q00653 4/20 0.56
▸ RELA Q04206 4/20 0.56
▸ MAPK1 P28482 2/20 0.52
▸ KDM4E B2RXH2 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ HPGD P15428 2/20 0.51
▸ TP53 P04637 3/20 0.49
▸ PTGS2 P35354 3/20 0.49

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
Trifluoromethanesulfonic Acid SCHEMBL9698416 0.89 RAB9A (0.61) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL9180479 0.86 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL7752727 0.86 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL8025073 0.86 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL6283948 0.86 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL10685934 0.86 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL9326013 0.85 RAB9A (0.97) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL9326045 0.85 RAB9A (0.97) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL10459672 0.85 RAB9A (0.97) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL7839903 0.84 RARB (0.58) RAB9ANPC1SMN1; SMN2MAPTSTAT3

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
EP-0517498-A1 Liquid crystal compounds and compositions SANYO CHEMICAL INDUSTRIES LTD. (JP) 1992-12-09 — — EP disclosed
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