SCHEMBL9699931

SCHEMBL9699931

CCCCCCCCCCc1ccc(-c2ccc3cc(C(=O)OC)ccc3c2)nc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.72
▸ MAPT P10636 5/20 0.72
▸ RAB9A P51151 7/20 0.61
▸ NPC1 O15118 6/20 0.61
▸ NFKB1 P19838 2/20 0.61
▸ NFKB2 Q00653 2/20 0.61
▸ RELA Q04206 2/20 0.61
▸ CASP3 P42574 2/20 0.57
▸ SENP8 Q96LD8 2/20 0.57
▸ SENP7 Q9BQF6 2/20 0.57
▸ SENP6 Q9GZR1 2/20 0.57
▸ STAT3 P40763 1/20 0.55
▸ ATM Q13315 1/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ KDM4E B2RXH2 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ THRB P10828 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ RARB P10826 1/20 0.48

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
SCHEMBL9723790 0.89 SMN1; SMN2 (0.85) SMN1; SMN2MAPTRAB9ANPC1NFKB1
SCHEMBL9697509 0.88 RAB9A (0.76) SMN1; SMN2MAPTRAB9ANPC1NFKB1
SCHEMBL11028757 0.82 CYP4A11 (0.54) SMN1; SMN2MAPTALDH1A1THRBRARB
SCHEMBL181229 0.82 CYP4A11 (0.54) SMN1; SMN2MAPTALDH1A1THRBRARB
SCHEMBL7334879 0.82 CYP4A11 (0.54) SMN1; SMN2MAPTALDH1A1THRBRARB
SCHEMBL7338653 0.82 CYP4A11 (0.54) SMN1; SMN2MAPTALDH1A1THRBRARB
SCHEMBL11030754 0.82 CYP4A11 (0.54) SMN1; SMN2MAPTALDH1A1THRBRARB
SCHEMBL2402292 0.82 CYP4A11 (0.54) SMN1; SMN2MAPTALDH1A1THRBRARB
SCHEMBL9698530 0.80 RAB9A (0.76) SMN1; SMN2MAPTRAB9ANPC1NFKB1
SCHEMBL10348208 0.78 RAB9A (0.78) SMN1; SMN2MAPTRAB9ANPC1NFKB1

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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