SCHEMBL6248355

SCHEMBL6248355

Nc1ccc(-c2cccc(F)c2)c(F)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.46
ESR2 Q92731 1/20 0.46
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
FYN P06241 1/20 0.39
ALOX5AP P20292 3/20 0.39
FEN1 P39748 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
CHEK2 O96017 2/20 0.38
PLK4 O00444 1/20 0.38
CHEK1 O14757 1/20 0.38
AURKA O14965 1/20 0.38
DAPK3 O43293 1/20 0.38
CDK1 P06493 1/20 0.38
PIM1 P11309 1/20 0.38
FGFR1 P11362 1/20 0.38
PRKACA P17612 1/20 0.38

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
SCHEMBL6250190 0.83 PIK3CA (0.45) TAAR1ESR2FYNPDK2
SCHEMBL6251135 0.83 RPS6KA3 (0.46) FYNMEN1MAPTKMT2ACHEK1
SCHEMBL28874283 0.82 ALDH1A1 (0.45) ESR2ALOX5APFEN1KDM4EMEN1
SCHEMBL29281800 0.79 TAAR1 (0.48) TAAR1ESR2FYNKDM4EMEN1
SCHEMBL30325664 0.76 TAAR1 (0.59) TAAR1ESR2FYNKDM4EMEN1
SCHEMBL27561397 0.75 ESR2 (0.48) TAAR1ESR2HSD17B1HSD17B2FYN
SCHEMBL5687694 0.75 TAAR1 (0.58) TAAR1ESR2HSD17B1HSD17B2FYN
SCHEMBL6637403 0.74 TAAR1 (0.47) TAAR1ESR2HSD17B1HSD17B2FYN
SCHEMBL16428844 0.74 ESR2 (0.55) TAAR1ESR2HSD17B1HSD17B2FYN
SCHEMBL5843635 0.73 ALOX15 (0.65) TAAR1ESR2HSD17B1HSD17B2FYN

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-1562539-A1 AGENTS FOR DYEING KERATIN FIBERS, CONTAINING 4-AMINO-BIPHENYL-3-OL-DERIVATIVES Wella Aktiengesellschaft (DE) 2005-08-17 EP disclosed
WO-2004041226-A1 AGENTS FOR DYEING KERATIN FIBERS, CONTAINING 4-AMINO-BIPHENYL-3-OL-DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 2004-05-21 WO disclosed