SCHEMBL2939487

SCHEMBL2939487

Nc1cccc(O)c1-c1cnccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
RPS6KA3 P51812 10/20 0.38
EP300 Q09472 1/20 0.38
KAT2B Q92831 1/20 0.38
KAT8 Q9H7Z6 1/20 0.38
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
IDO1 P14902 1/20 0.34
PIM1 P11309 2/20 0.34
PIM3 Q86V86 2/20 0.34
PIM2 Q9P1W9 2/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 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
SCHEMBL2938624 0.81 GAA (0.43) LMNACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2934565 0.81 KDM4E (0.39) LMNACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2940700 0.81 LCK (0.42) LMNACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2940281 0.78 ALOX15 (0.46) LMNACYP3A4KDM4EALOX15TSHR
SCHEMBL2936060 0.75 ALDH1A1 (0.46) CYP3A4KDM4EALOX15TSHRMEN1
SCHEMBL2931362 0.72 ALOX15 (0.43) LMNACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2936656 0.71 MKNK1 (0.49) LMNACYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL2935897 0.70 HSD17B1 (0.42) LMNACYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL2939932 0.70 MKNK1 (0.47) LMNACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2938263 0.69 ALOX15 (0.54) LMNACYP3A4KDM4EALOX15TSHR

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
EP-1494995-B1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS PROCTER & GAMBLE (US) 2010-09-22 EP claimed