SCHEMBL28512426

SCHEMBL28512426

Cc1ccccc1C(N)(CO)c1ccccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ACHE P22303 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
CASR P41180 1/20 0.38
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP3A4 P08684 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
CHRM3 P20309 2/20 0.35
ATM Q13315 2/20 0.34
TRPA1 O75762 1/20 0.34
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
ALDH1A1 P00352 2/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 2/20 0.33
KIF11 P52732 1/20 0.33
CYP1A2 P05177 1/20 0.32

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
SCHEMBL28813591 0.86 KIF11 (0.39) TSHRGABRA1GABRB2CASRALDH1A1
SCHEMBL5150512 0.84 GABRA1 (0.42) TSHRACHEGABRA1GABRB2CASR
SCHEMBL4601477 0.79 TAAR1 (0.41) TSHRACHEGABRA1GABRB2CASR
Alcohol SCHEMBL11617474 0.78 GABRA1 (0.41) TSHRACHEGABRA1GABRB2CASR
SCHEMBL6049869 0.78 TSHR (0.50) TSHRACHEGABRA1GABRB2CASR
SCHEMBL4583252 0.77 GABRA1 (0.43) TSHRACHEGABRA1GABRB2CASR
SCHEMBL872872 0.77 GABRA1 (0.43) TSHRACHEGABRA1GABRB2CASR
SCHEMBL15314792 0.76 ACHE (0.38) TSHRACHEGABRA1GABRB2CASR
SCHEMBL3641431 0.76 GABRA1 (0.42) TSHRACHEGABRA1GABRB2CASR
SCHEMBL434166 0.75 GABRA1 (0.38) TSHRACHEGABRA1GABRB2CASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112312880-A Oxidative hair lighteners or hair colorants with improved application properties 汉高股份有限及两合公司 2021-02-02 CN disclosed
CN-112312881-A Cold-prepared oxidative hair lighteners or hair colorants for secondary coloration 汉高股份有限及两合公司 2021-02-02 CN disclosed