SCHEMBL3073449

SCHEMBL3073449

Cc1c(N)c(C)c2ccccc2c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.41
ACHE P22303 3/20 0.41
TSHR P16473 5/20 0.39
CYP3A4 P08684 4/20 0.39
PIK3CA P42336 1/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 4/20 0.39
HSD17B10 Q99714 4/20 0.39
ALDH1A1 P00352 4/20 0.39
CASP1 P29466 3/20 0.39
CASP7 P55210 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
GLA P06280 2/20 0.39
CHRM2 P08172 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 1/20 0.39
NQO2 P16083 1/20 0.39
MAOA P21397 1/20 0.39

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
Hydrochloric Acid SCHEMBL4638285 0.97 RAB9A (0.41) CYP1A2ACHETSHRCYP3A4PIK3CA
SCHEMBL10692356 0.88 CYP1A2 (0.45) CYP1A2ACHETSHRCYP3A4PIK3CA
SCHEMBL3679087 0.86 ACHE (0.39) CYP1A2ACHETSHRCYP3A4PIK3CA
SCHEMBL31180772 0.86 ACHE (0.39) CYP1A2ACHETSHRCYP3A4PIK3CA
SCHEMBL1834490 0.86 TSHR (0.41) CYP1A2ACHETSHRCYP3A4PIK3CA
Hydrochloric Acid SCHEMBL1508302 0.84 KDM4E (0.40) CYP1A2ACHETSHRCYP3A4PIK3CA
Bromide SCHEMBL11552674 0.84 TSHR (0.40) CYP1A2ACHETSHRCYP3A4PIK3CA
Ammonia Solution, Strong SCHEMBL8197954 0.84 TSHR (0.40) CYP1A2ACHETSHRCYP3A4PIK3CA
SCHEMBL18923214 0.83 CYP1A2 (0.41) CYP1A2ACHETSHRCYP3A4PIK3CA
SCHEMBL538480 0.82 CYP1A2 (0.45) CYP1A2ACHETSHRCYP3A4PIK3CA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109562047-A hair dye composition 株式会社漫丹 2019-04-02 CN disclosed
CN-109562038-A Hair dyeing feed composition 株式会社漫丹 2019-04-02 CN disclosed
US-7815692-B1 Hair coloring compositions Universal Beauty Products, Inc. (US) 2010-10-19 US disclosed