SCHEMBL2860435

SCHEMBL2860435

O=C(NCc1cccnc1)Oc1cnn(-c2ccc(OC(F)(F)F)cc2)c1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.46
EPHX1 P07099 1/20 0.44
KCNH2 Q12809 1/20 0.43
SCN5A Q14524 1/20 0.43
SCN9A Q15858 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
EGLN1 Q9GZT9 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.39
DHODH Q02127 1/20 0.39
MAPK1 P28482 1/20 0.39
FAAH O00519 1/20 0.39

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
SCHEMBL2854852 0.89 ABCB1 (0.49) NAMPTEPHX1GAAKMT2ADHODH
SCHEMBL2855714 0.84 EPHX1 (0.45) NAMPTEPHX1KMT2AMAPK1
SCHEMBL2857357 0.81 HTT (0.46) NAMPTEPHX1GAAKMT2AMAPK1
SCHEMBL2861243 0.81 KDM4E (0.52) NPC1RAB9AKMT2A
SCHEMBL2852520 0.81 TP53 (0.47) NPC1RAB9AGAAKMT2ADHODH
SCHEMBL2850427 0.80 SMN1; SMN2 (0.60) TRPV1GAAKMT2A
SCHEMBL2852635 0.80 EPHX1 (0.44) NAMPTEPHX1NPC1KMT2AMAPK1
SCHEMBL2853193 0.80 MAPT (0.43) NAMPTNPC1RAB9AGAAKMT2A
SCHEMBL2854804 0.79 MAPK1 (0.48) RAB9AMAPK1
SCHEMBL2860715 0.79 ALDH1A1 (0.46) NPC1RAB9AGAAKMT2A

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