SCHEMBL7939408

SCHEMBL7939408

COC(=O)c1cc(-c2ccc(C)cn2)cc(-c2cc(C(F)(F)F)ccc2N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.44
NR1I2 O75469 2/20 0.41
CYP2C9 P11712 1/20 0.41
PDGFRB P09619 1/20 0.41
KDR P35968 1/20 0.41
DHODH Q02127 1/20 0.40
LMNA P02545 1/20 0.39
ALOX5AP P20292 4/20 0.39
FEN1 P39748 4/20 0.39
TLR2 O60603 1/20 0.38
TLR1 Q15399 1/20 0.38
BTK Q06187 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
P2RX3 P56373 2/20 0.37
P2RX2 Q9UBL9 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NOTUM Q6P988 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL7948269 0.89 DHODH (0.44) NR1I2CYP2C9DHODHALOX5APFEN1
SCHEMBL2170747 0.85 S1PR3 (0.40) NR1I2CYP2C9PDGFRBKDRDHODH
SCHEMBL7945914 0.82 P2RX3 (0.60) NR1I2CYP2C9ALOX5APFEN1P2RX3
SCHEMBL1495784 0.78 TDP1 (0.49) NR1I2CYP2C9P2RX3P2RX2KDM4E
SCHEMBL310982 0.78 ATAD2 (0.51) NR1I2CYP2C9LMNAP2RX3P2RX2
SCHEMBL7947936 0.76 CNR2 (0.48) NR1I2CYP2C9P2RX3P2RX2KDM4E
SCHEMBL7939749 0.76 P2RX3 (0.51) NR1I2CYP2C9ALOX5APFEN1P2RX3
SCHEMBL2170986 0.74 NR1I2 (0.45) NR1I2PDGFRBKDRDHODHHDAC1
SCHEMBL3057697 0.74 P2RX3 (0.45) NR1I2CYP2C9P2RX3P2RX2
SCHEMBL3066007 0.74 KDM4E (0.48) NR1I2P2RX3P2RX2KDM4EALDH1A1

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