SCHEMBL2856479

SCHEMBL2856479

O=C(NCCc1ccccc1F)Oc1cnn(-c2ccccn2)c1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
HIF1A Q16665 7/20 0.39
KDM4E B2RXH2 2/20 0.39
TAAR1 Q96RJ0 1/20 0.37
SCN9A Q15858 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
CNR1 P21554 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM5A P29375 1/20 0.34
KDM5B Q9UGL1 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
SCHEMBL2857758 0.89 TRPV1 (0.41) MAPK1RAB9ANPC1MEN1KMT2A
SCHEMBL2857979 0.87 TRPV1 (0.39) MAPK1RAB9ANPC1MEN1KMT2A
SCHEMBL2850556 0.87 KDM4E (0.41) RAB9ANPC1KDM4EFFAR4CNR1
SCHEMBL2857936 0.86 KDM4E (0.47) MAPK1KMT2ATRPV1HIF1AKDM4E
SCHEMBL2854553 0.85 TRPV1 (0.39) MAPK1RAB9ANPC1MEN1KMT2A
SCHEMBL2848513 0.85 P2RX7 (0.43) MAPK1TRPV1HIF1AKDM4ESCN9A
SCHEMBL2859594 0.84 TAAR1 (0.45) MEN1KMT2AKDM4ETAAR1FFAR4
SCHEMBL2860303 0.84 TRPV1 (0.39) RAB9ANPC1TRPV1KDM4ESCN9A
SCHEMBL2858012 0.83 CNR1 (0.46) MAPK1TRPV1HIF1AKDM4ETAAR1
SCHEMBL2857357 0.78 HTT (0.46) MAPK1MEN1KMT2AGLAHSD17B10

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