SCHEMBL28813591

SCHEMBL28813591

Cc1ccc(C(N)(CO)c2ccccc2C)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 13/20 0.39
TSHR P16473 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
CASR P41180 1/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL28512426 0.86 TSHR (0.39) KIF11TSHRGABRA1GABRB2CASR
SCHEMBL29001568 0.82 KIF11 (0.50) KIF11TSHRMEN1KMT2A
SCHEMBL5150512 0.76 GABRA1 (0.42) KIF11TSHRGABRA1GABRB2CASR
SCHEMBL16191033 0.72 TSHR (0.46) KIF11TSHRGABRA1GABRB2CASR
SCHEMBL13427531 0.71 KCNN4 (0.53) KIF11KMT2AALDH1A1
SCHEMBL17018523 0.71 TSHR (0.50) KIF11TSHRNPC1RAB9A
SCHEMBL4601477 0.71 TAAR1 (0.41) KIF11TSHRGABRA1GABRB2CASR
Alcohol SCHEMBL11617474 0.71 GABRA1 (0.41) TSHRGABRA1GABRB2CASRALDH1A1
SCHEMBL6049869 0.70 TSHR (0.50) TSHRGABRA1GABRB2CASRALDH1A1
SCHEMBL872872 0.70 GABRA1 (0.43) TSHRGABRA1GABRB2CASRALDH1A1

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
CN-114746069-A Three-step multi-tone hair dyeing method 汉高股份有限及两合公司 2022-07-12 CN claimed