SCHEMBL5327584

SCHEMBL5327584

C=Cc1ccc(C=Cc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 2/20 0.64
▸ MAPT P10636 3/20 0.63
▸ RAB9A P51151 3/20 0.63
▸ NPC1 O15118 2/20 0.63
▸ FBP1 P09467 2/20 0.62
▸ PTGS2 P35354 6/20 0.59
▸ PTGS1 P23219 2/20 0.59
▸ CYP19A1 P11511 2/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ GALK1 P51570 1/20 0.49
▸ BCHE P06276 1/20 0.49
▸ MAOB P27338 1/20 0.49
▸ NFE2L2 Q16236 1/20 0.47

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
SCHEMBL5327577 1.00 APP (0.64) APPMAPTRAB9ANPC1FBP1
SCHEMBL28587124 0.94 APP (0.59) APPMAPTRAB9ANPC1FBP1
SCHEMBL125083 0.94 APP (0.59) APPMAPTRAB9ANPC1FBP1
SCHEMBL28471601 0.93 CYP19A1 (0.62) APPMAPTRAB9ANPC1FBP1
Hydrogen Sulfide SCHEMBL28134384 0.91 APP (0.57) APPMAPTRAB9ANPC1FBP1
Water SCHEMBL20553645 0.91 APP (0.57) APPMAPTRAB9ANPC1FBP1
Ethylene SCHEMBL28539188 0.91 APP (0.57) APPMAPTRAB9ANPC1FBP1
Benzene SCHEMBL28468265 0.89 ALDH1A1 (0.56) APPMAPTRAB9ANPC1FBP1
Benzene SCHEMBL28458351 0.89 ALDH1A1 (0.56) APPMAPTRAB9ANPC1FBP1
SCHEMBL14947048 0.89 APP (0.78) APPMAPTRAB9ANPC1FBP1

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
WO-2007139810-A2 PHOTO-INDUCED COPOLYMER FUNCTIONALIZED SUBSTRATES UNIVERSITY OF MASSACHUSETTS (US) 2007-12-06 — — WO disclosed
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