SCHEMBL2188019

SCHEMBL2188019

Cc1ccc(-c2cc(C(=O)O)cc(-c3cc(C(F)(F)CF)ccc3C#N)c2)nc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.40
XDH P47989 5/20 0.38
PPARA Q07869 1/20 0.36
WNT3A P56704 1/20 0.36
S1PR3 Q99500 4/20 0.36
NR1I2 O75469 2/20 0.35
CYP2C9 P11712 1/20 0.35
S1PR1 P21453 1/20 0.35
P2RX3 P56373 2/20 0.34
P2RX2 Q9UBL9 2/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
DHODH Q02127 1/20 0.34

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
SCHEMBL2171221 0.90 SYK (0.44) SYKXDHPPARAS1PR3NR1I2
SCHEMBL2173127 0.85 XDH (0.43) SYKXDHWNT3AS1PR3P2RX3
SCHEMBL2188021 0.84 XDH (0.43) SYKXDHPPARAWNT3AS1PR3
SCHEMBL2170747 0.80 S1PR3 (0.40) SYKWNT3AS1PR3NR1I2CYP2C9
SCHEMBL3475703 0.80 LDHA (0.42) XDHWNT3A
SCHEMBL3474932 0.78 XDH (0.40) XDHWNT3AP2RX3P2RX2
SCHEMBL2171259 0.77 P2RX3 (0.55) NR1I2CYP2C9P2RX3P2RX2
SCHEMBL7948269 0.75 DHODH (0.44) PPARANR1I2CYP2C9P2RX3P2RX2
SCHEMBL3476174 0.72 GRM5 (0.43) MRGPRX4
SCHEMBL3475350 0.72 NR1I2 (0.42) XDHNR1I2P2RX3P2RX2DHODH

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-2346825-A2 MODULATORS OF P2X3 RECEPTOR ACTIVITY Evotec AG (DE) 2011-07-27 EP disclosed
WO-2010033168-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2010-03-25 WO disclosed