SCHEMBL28813593

SCHEMBL28813593

Cc1ccc(C(N)(O)Cc2ccccc2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.40
NR3C2 P08235 1/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KIF11 P52732 9/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
SSTR4 P31391 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NR3C1 P04150 1/20 0.35

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
SCHEMBL28512429 0.79 TAAR1 (0.42) TAAR1NR3C2MEN1KMT2ASSTR4
SCHEMBL3638610 0.71 TAAR1 (0.52) TAAR1NR3C2KMT2ASSTR4ALDH1A1
SCHEMBL13722854 0.71 TAAR1 (0.45) TAAR1NR3C2KMT2ASSTR4ALDH1A1
SCHEMBL15976426 0.71 TAAR1 (0.45) TAAR1NR3C2KMT2ASSTR4ALDH1A1
SCHEMBL808983 0.71 TAAR1 (0.45) TAAR1NR3C2KMT2ASSTR4ALDH1A1
SCHEMBL29987056 0.71 TAAR1 (0.52) TAAR1NR3C2KMT2ASSTR4ALDH1A1
SCHEMBL28114102 0.71 MEN1 (0.44) TAAR1NR3C2MEN1KMT2AALDH1A1
SCHEMBL2034707 0.70 CTBP2 (0.47) TAAR1NR3C2MEN1KMT2ASSTR4
SCHEMBL2032866 0.70 CTBP2 (0.47) TAAR1NR3C2MEN1KMT2ASSTR4
Hydrochloric Acid SCHEMBL12802356 0.70 TAAR1 (0.50) TAAR1NR3C2KMT2ASSTR4ALDH1A1

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