SCHEMBL7948269

SCHEMBL7948269

Cc1ccc(-c2cc(C(=O)O)cc(-c3cc(C(F)(F)F)ccc3N)c2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.44
MAP4K4 O95819 2/20 0.42
NR1I2 O75469 2/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX5AP P20292 2/20 0.41
FEN1 P39748 2/20 0.41
LDHA P00338 1/20 0.40
PPARA Q07869 1/20 0.40
MRGPRX4 Q96LA9 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
P2RY14 Q15391 2/20 0.38
OPRD1 P41143 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
P2RX3 P56373 1/20 0.37
P2RX2 Q9UBL9 1/20 0.37

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
SCHEMBL7939408 0.89 CFTR (0.44) DHODHNR1I2CYP2C9ALOX5APFEN1
SCHEMBL2171221 0.84 SYK (0.44) DHODHMAP4K4NR1I2CYP2C9ALOX5AP
SCHEMBL7945914 0.83 P2RX3 (0.60) NR1I2CYP2C9ALOX5APFEN1P2RX3
SCHEMBL1495762 0.77 LDHA (0.50) DHODHMAP4K4LDHAKDM4EALDH1A1
SCHEMBL7939749 0.76 P2RX3 (0.51) NR1I2CYP2C9ALOX5APFEN1P2RX3
SCHEMBL358035 0.76 LDHA (0.58) DHODHMAP4K4NR1I2LDHAKDM4E
SCHEMBL2188019 0.75 SYK (0.40) DHODHNR1I2CYP2C9PPARAMRGPRX4
SCHEMBL16195648 0.75 SCN9A (0.48) CYP2C9ALOX5APFEN1
SCHEMBL3066204 0.75 NR1I2 (0.49) DHODHNR1I2CYP2C9LDHAPPARA
SCHEMBL3476171 0.75 DHODH (0.49) DHODHNR1I2LDHAKDM4EALDH1A1

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-2010033168-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2010-03-25 WO disclosed