SCHEMBL18334296

SCHEMBL18334296

Nc1ccc(C=Cc2ccc(C#Cc3ccccc3)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.75
▸ CYP19A1 P11511 6/20 0.68
▸ MAOA P21397 2/20 0.68
▸ MAOB P27338 2/20 0.68
▸ APP P05067 6/20 0.58
▸ FFAR1 O14842 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42

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
SCHEMBL9611203 0.91 APP (0.70) MAPTCYP19A1MAOAMAOBAPP
SCHEMBL11550295 0.87 FFAR1 (0.64) MAPTCYP19A1MAOAMAOBAPP
SCHEMBL1009236 0.87 MAPT (1.00) MAPTAPPFFAR1KDM4EMEN1
SCHEMBL11548470 0.84 FFAR1 (0.61) MAPTCYP19A1MAOAMAOBAPP
Diphenylacetylene SCHEMBL15666790 0.82 APP (0.67) MAPTCYP19A1MAOAMAOBAPP
(E)-4-Styrylaniline SCHEMBL6757469 0.82 CYP19A1 (1.00) CYP19A1MAOAMAOBAPPKDM4E
(E)-4-Styrylaniline SCHEMBL219627 0.82 CYP19A1 (1.00) CYP19A1MAOAMAOBAPPKDM4E
(E)-4-Styrylaniline SCHEMBL219628 0.82 CYP19A1 (1.00) CYP19A1MAOAMAOBAPPKDM4E
(Z)-1,2-Diphenylethene SCHEMBL3080968 0.80 CYP19A1 (0.95) CYP19A1MAOAMAOBAPPKDM4E
(Z)-1,2-Diphenylethene SCHEMBL3080965 0.80 CYP19A1 (0.95) CYP19A1MAOAMAOBAPPKDM4E

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-20160369168-A1 LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2016-12-22 — — US disclosed
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