SCHEMBL2857766

SCHEMBL2857766

COc1ccc(-n2ncc(OC(=O)NCc3ccc4c(c3)OCO4)c2C)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
SMN1; SMN2 Q16637 4/20 0.54
TP53 P04637 1/20 0.54
THRB P10828 1/20 0.54
TSHR P16473 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
HSD17B10 Q99714 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
HTT P42858 1/20 0.53
ATM Q13315 1/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.48
CA1 P00915 1/20 0.48
PKM P14618 1/20 0.48

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
SCHEMBL2851002 0.90 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2TP53HPGDHTT
SCHEMBL2848480 0.90 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2TSHRKDM4EMAPT
SCHEMBL2863326 0.88 TP53 (0.53) ALDH1A1SMN1; SMN2TP53THRBTSHR
SCHEMBL2854531 0.82 LMNA (0.52) ALDH1A1SMN1; SMN2TP53MAPTRXFP1
SCHEMBL2854802 0.82 LMNA (0.48) ALDH1A1TP53THRBMAPTKMT2A
SCHEMBL2860234 0.81 HPGD (0.54) ALDH1A1SMN1; SMN2TP53TSHRMAPT
SCHEMBL2850427 0.79 SMN1; SMN2 (0.60) ALDH1A1SMN1; SMN2TP53THRBTSHR
SCHEMBL2852238 0.78 GAA (0.55) SMN1; SMN2TP53THRBNPSR1KDM4E
SCHEMBL2856865 0.78 L3MBTL1 (0.51) ALDH1A1SMN1; SMN2TP53THRBTSHR
SCHEMBL2856388 0.78 TRPV1 (0.51) ALDH1A1SMN1; SMN2TP53THRBTSHR

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-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed