SCHEMBL18559995

SCHEMBL18559995

C=CC(/C=C/c1ccc(N(C)C)cc1OC)=C\C=N\CCSSCC[n+]1ccc(/C=C/c2ccc(N)cc2OC)cc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 4/20 0.40
▸ CYP19A1 P11511 2/20 0.34
▸ CHAT P28329 1/20 0.31
▸ APP P05067 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ CTSL P07711 1/20 0.30
▸ CTSB P07858 1/20 0.30

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
SCHEMBL19649207 0.95 BACE1 (0.43) BACE1CHATAPPMAPTCTSB
SCHEMBL14401515 0.87 CYP1A1 (0.42) BACE1CYP19A1MAPTCTSB
SCHEMBL14401518 0.82 CYP1A1 (0.40) BACE1CYP19A1CHATMAPT
SCHEMBL12451468 0.81 KDM4A (0.43) APPMAPT
SCHEMBL16070280 0.78 APP (0.32) APP
SCHEMBL10104183 0.78 BACE1 (0.48) BACE1CYP19A1CHATAPPMAPT
SCHEMBL21005628 0.77 — —
SCHEMBL18774215 0.75 CHRM2 (0.31) —
SCHEMBL14802459 0.74 BACE1 (0.45) BACE1CYP19A1CHATAPPMAPT
SCHEMBL21005805 0.74 KDM4A (0.34) —

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-2781556-B1 Method of colouring and lightening keratin materials in the presence of a reducing agent comprising a fluorescent disulphide dye L'ORÉAL (FR) 2017-03-01 — — EP disclosed
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