SCHEMBL6682491

SCHEMBL6682491

CCC(Br)(Br)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.46
TAAR1 Q96RJ0 1/20 0.42
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
CYP2C19 P33261 2/20 0.38
HIF1A Q16665 1/20 0.38
ALOX15 P16050 1/20 0.37
ESR1 P03372 1/20 0.36
CYP3A4 P08684 1/20 0.36
ESR2 Q92731 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL5740730 0.80 TAAR1 (0.50) KCNN4TAAR1MAPK1ALDH1A1TSHR
SCHEMBL6682083 0.79 KCNN4 (0.43) KCNN4TAAR1MAPK1ALDH1A1TSHR
SCHEMBL540402 0.79 KCNN4 (0.43) KCNN4TAAR1MAPK1ALDH1A1TSHR
SCHEMBL2121739 0.78 TAAR1 (0.48) KCNN4TAAR1MAPK1ALDH1A1TSHR
SCHEMBL2239057 0.76 TAAR1 (0.46) KCNN4TAAR1MAPK1ALDH1A1TSHR
SCHEMBL2583837 0.76 KCNN4 (0.44) KCNN4TAAR1MAPK1ALDH1A1TSHR
SCHEMBL6686318 0.75 KIF11 (0.41) KCNN4TAAR1ESR1ESR2
SCHEMBL10544554 0.75 TAAR1 (0.46) KCNN4TAAR1MAPK1CYP2C19HIF1A
SCHEMBL1059898 0.74 KCNN4 (0.48) KCNN4TAAR1MAPK1ALDH1A1TSHR
SCHEMBL10588674 0.74 KCNN4 (0.41) KCNN4TAAR1MAPK1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116065397-A Preparation method of flame-retardant fiber gel-treated by wet spinning method 中国石油化工股份有限公司 2023-05-05 CN disclosed
CN-109803992-B Isocyanate composition and method for producing isocyanate polymer 旭化成株式会社 2022-05-24 CN disclosed
CN-109843963-B Isocyanate composition, method for producing isocyanate polymer, and isocyanate polymer 旭化成株式会社 2022-05-13 CN disclosed
CN-110832039-A Dielectric ink composition 阿尔法装配解决方案公司 2020-02-21 CN disclosed
EP-0985649-B1 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES (JP) 2004-11-24 EP disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
EP-1053990-A2 A method of producing an aromatic ketone and an aromatic ketone composition containing it TORAY INDUSTRIES, INC. (JP) 2000-11-22 EP disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 EP disclosed
US-3989771-A ADDING BROMINE OR CARBON TETRABROMIDE TO INCREASE IMPACT RESISTANCE STANDARD OIL COMPANY (INDIANA) (US) 1976-11-02 US disclosed