SCHEMBL2860466

SCHEMBL2860466

COc1ccc(CNC(=O)Oc2cnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.47
GAA P10253 1/20 0.46
FAAH O00519 2/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
P2RX7 Q99572 1/20 0.43
SMO Q99835 2/20 0.43
MAPT P10636 2/20 0.43
THRB P10828 1/20 0.43
TP53 P04637 2/20 0.43
CCR1 P32246 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL2848661 0.91 ABCB1 (0.48) LMNAPOLBMAPTTP53CCR1
SCHEMBL2856797 0.91 P2RX7 (0.45) P2RX7SMOCCR1L3MBTL1ALDH1A1
SCHEMBL2852520 0.91 TP53 (0.47) GAAPOLBMAPTTP53MEN1
SCHEMBL2855710 0.90 LMNA (0.46) FAAHLMNAPOLBP2RX7SMO
SCHEMBL2859091 0.89 CCR1 (0.46) P2RX7SMOCCR1
SCHEMBL2853277 0.89 CCR1 (0.50) LMNAPOLBP2RX7SMOTP53
SCHEMBL2850425 0.88 P2RX7 (0.49) POLBP2RX7SMOMAPTTP53
SCHEMBL2854847 0.88 ALDH1A1 (0.48) FAAHLMNAPOLBP2RX7SMO
SCHEMBL2854804 0.88 MAPK1 (0.48) POLBP2RX7SMOMAPTTP53
SCHEMBL2852545 0.87 NPBWR1 (0.42) GAAFAAHPOLBSMOTP53

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