SCHEMBL2860795

SCHEMBL2860795

O=C(Nc1cnccn1)Oc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 3/20 0.45
POLB P06746 4/20 0.41
MEN1 O00255 2/20 0.41
FFAR2 O15552 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 4/20 0.39
RAB9A P51151 2/20 0.39
ACHE P22303 1/20 0.39
GPR6 P46095 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 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
SCHEMBL2854992 0.86 L3MBTL1 (0.43) KMT2AMEN1ALOX15TSHRMAPT
SCHEMBL2850524 0.84 MAPT (0.43) KMT2AMEN1NPSR1MAPTRAB9A
SCHEMBL2852244 0.84 MAPT (0.48) KMT2AKDM4EPOLBMEN1NPSR1
SCHEMBL2858436 0.84 MEN1 (0.46) KMT2AKDM4EMEN1FFAR2MAPT
SCHEMBL2854489 0.84 PTGS1 (0.43) POLBMAPTRAB9AGPR6NPC1
SCHEMBL2852163 0.83 KMT2A (0.53) KMT2AKDM4EPOLBFFAR2ALOX15
SCHEMBL2854626 0.82 MAPT (0.40) KDM4EPOLBNPSR1MAPTRAB9A
SCHEMBL2850712 0.82 MAPT (0.41) KMT2AKDM4EPOLBMEN1NPSR1
SCHEMBL2860252 0.82 MAPT (0.39) KMT2APOLBMEN1FFAR2TSHR
SCHEMBL2848317 0.81 MAPT (0.46) KMT2AKDM4EPOLBMEN1NPSR1

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