SCHEMBL6960733

SCHEMBL6960733

O=C(Cc1ccccn1)c1ccnc(-c2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.53
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ABL1 P00519 3/20 0.47
RAB9A P51151 2/20 0.47
KDM5A P29375 1/20 0.47
KDM2B Q8NHM5 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
KDM5B Q9UGL1 1/20 0.47
EPHX2 P34913 2/20 0.46
NPC1 O15118 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
BCR P11274 1/20 0.41
FAAH O00519 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40

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
SCHEMBL5956574 0.85 SCN10A (0.54) SCN10AABL1KDM5AKDM2BKDM4C
SCHEMBL6180999 0.78 TLR7 (0.49) SCN10AMEN1KMT2AABL1RAB9A
SCHEMBL1758489 0.77 SCN10A (0.62) SCN10AABL1KDM5AKDM2BKDM4C
SCHEMBL25003825 0.76 SCN10A (0.68) SCN10AMEN1KMT2AABL1KDM5A
SCHEMBL25002931 0.76 SCN10A (0.67) SCN10AABL1KDM5AKDM2BKDM4C
SCHEMBL5956434 0.74 HDAC1 (0.53) RAB9AKDM4CNPC1KDM4EMAPT
SCHEMBL19514104 0.73 KDM4E (0.55) SCN10ARAB9ANPC1TLR7KDM4E
SCHEMBL11633917 0.73 RAB9A (0.66) MEN1KMT2ARAB9ANPC1KDM4E
SCHEMBL2863908 0.72 SCN10A (0.51) SCN10AABL1KDM5AKDM2BKDM4C
SCHEMBL29017606 0.72 RAB9A (0.73) KMT2ARAB9ANPC1KDM4EMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355903-A1 PYRAZOLE DERIVATIVES AGAINST TGF OVEREXPRESSION GLAXO GROUP LIMITED (GB) 2003-10-29 EP disclosed
WO-2002066462-A1 PYRAZOLE DERIVATIVES AGAINST TGF OVEREXPRESSION GLAXO GROUP LIMITED (GB) 2002-08-29 WO disclosed