SCHEMBL13189705

SCHEMBL13189705

COc1ccc(C)c(NC(=O)c2cc(Cl)ccc2O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 4/20 0.64
MAPT P10636 3/20 0.62
KDM4E B2RXH2 3/20 0.62
HTT P42858 2/20 0.62
LMNA P02545 2/20 0.62
NPC1 O15118 1/20 0.62
POLB P06746 1/20 0.62
NPY1R P25929 1/20 0.62
NPY2R P49146 1/20 0.62
RAB9A P51151 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
FADS1 O60427 1/20 0.60
S1PR4 O95977 1/20 0.60
KCNMA1 Q12791 7/20 0.59
TMPRSS4 Q9NRS4 5/20 0.55
PKM P14618 1/20 0.53
HIF1A Q16665 1/20 0.52
MEN1 O00255 1/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52

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
SCHEMBL30771752 0.88 P2RX1 (0.70) P2RX1MAPTKDM4EHTTLMNA
SCHEMBL24460172 0.88 P2RX1 (0.70) P2RX1MAPTKDM4EHTTLMNA
SCHEMBL14363379 0.87 LMNA (0.60) P2RX1MAPTKDM4EHTTLMNA
SCHEMBL16147503 0.86 P2RX1 (0.66) P2RX1MAPTKDM4EHTTLMNA
SCHEMBL13812835 0.85 MAPT (0.70) P2RX1MAPTKDM4ENPC1POLB
SCHEMBL18290068 0.81 P2RX1 (0.80) P2RX1MAPTNPC1RAB9ANPSR1
SCHEMBL13812587 0.80 MAPT (0.56) P2RX1MAPTKDM4EHTTLMNA
SCHEMBL13772243 0.80 KCNMA1 (0.59) P2RX1MAPTKDM4EHTTLMNA
SCHEMBL5464135 0.80 RAB9A (0.50) P2RX1MAPTKDM4EHTTLMNA
SCHEMBL330394 0.79 TMPRSS4 (0.79) P2RX1MAPTKDM4EHTTLMNA

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
WO-2010101648-A1 GLUTAMATE RECEPTOR MODULATORS AND THERAPEUTIC AGENTS WOOD RICHARD D (US) 2010-09-10 WO disclosed