SCHEMBL17465788

SCHEMBL17465788

N#CC(C#N)c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
CYP2A6 P11509 1/20 0.42
KDM4E B2RXH2 2/20 0.39
PYCR1 P32322 1/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
HTR2A P28223 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
TRPA1 O75762 1/20 0.36
CYP1A2 P05177 1/20 0.35
NAAA Q02083 1/20 0.35
RECQL P46063 1/20 0.34
ALDH1A1 P00352 4/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
GFER P55789 1/20 0.34
ALOX15 P16050 2/20 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
SCHEMBL8257454 0.79 ALDH1A1 (0.44) ALOX5CYP2A6KDM4EPYCR1MAOA
SCHEMBL11675959 0.78 ESR1 (0.39) ALOX5ESR1ESR2TRPA1CYP1A2
SCHEMBL7867478 0.75 HTR2A (0.39) ALOX5CYP2A6KDM4EPYCR1MAOA
SCHEMBL2164185 0.75 TSHR (0.60) ALOX5CYP2A6KDM4EMAOAMAOB
SCHEMBL164184 0.75 ALOX5 (0.41) ALOX5CYP2A6KDM4EPYCR1MAOA
SCHEMBL27961334 0.75 CYP2A6 (0.38) ALOX5CYP2A6KDM4EPYCR1MAOA
SCHEMBL4160843 0.75 ALOX5 (0.41) ALOX5CYP2A6KDM4EPYCR1MAOA
SCHEMBL6689869 0.75 TSHR (0.60) ALOX5CYP2A6KDM4EMAOAMAOB
SCHEMBL28303220 0.75 CYP2A6 (0.38) ALOX5CYP2A6KDM4EPYCR1MAOA
SCHEMBL27646186 0.75 TSHR (0.60) ALOX5CYP2A6KDM4EMAOAMAOB

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
EP-3172272-B1 MODIFIED HETEROPHASIC POLYOLEFIN COMPOSITION MILLIKEN & CO (US) 2020-11-25 EP disclosed
WO-2016014122-A1 MODIFIED HETEROPHASIC POLYOLEFIN COMPOSITION MILLIKEN & COMPANY (US) 2016-01-28 WO disclosed