SCHEMBL2940033

SCHEMBL2940033

N#CC(=O)Cc1ccc(-c2c(N)cccc2O)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
GAA P10253 2/20 0.33
ABCC4 O15439 1/20 0.33
LMNA P02545 1/20 0.33
PTGS1 P23219 1/20 0.33
HTT P42858 1/20 0.33
SENP1 Q9P0U3 2/20 0.33
ALOX15 P16050 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
AR P10275 1/20 0.31
CA2 P00918 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
CSNK2A3 Q8NEV1 1/20 0.31
RXRA P19793 1/20 0.31
RXRG P48443 1/20 0.31

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
SCHEMBL2941542 0.86 CNR2 (0.36) GAAARALDH1A1GFER
SCHEMBL2933992 0.79 MMP3 (0.44) TSHRLMNAHTTALOX15MEN1
SCHEMBL2937962 0.76 HRH3 (0.48) TSHRALOX15
SCHEMBL2938159 0.76 MEN1 (0.39) TSHRLMNAHTTALOX15MEN1
SCHEMBL2939911 0.73 MMP3 (0.47) TSHRALOX15ARCA2
SCHEMBL2935347 0.70 ALOX15 (0.46) TSHRGAALMNAHTTALOX15
SCHEMBL13799024 0.70 CA2 (0.56) LMNASENP1MEN1KMT2ANPC1
SCHEMBL2936698 0.70 ALOX15 (0.46) TSHRSENP1ALOX15MEN1KMT2A
SCHEMBL2936107 0.69 HSD17B1 (0.48) TSHRLMNAALOX15NPC1RAB9A
Hydrochloric Acid SCHEMBL2938598 0.69 ALOX15 (0.44) TSHRSENP1ALOX15MEN1KMT2A

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