SCHEMBL2853595

SCHEMBL2853595

CS(=O)(=O)c1cccc(NC(=O)Oc2cnn(-c3ccc(OC(F)(F)F)cc3)c2C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EPHX2 P34913 1/20 0.43
PTGS2 P35354 1/20 0.43
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
MAPT P10636 2/20 0.40
HTR2A P28223 1/20 0.39
NPY5R Q15761 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TP53 P04637 1/20 0.38
CARM1 Q86X55 1/20 0.38

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
SCHEMBL2854620 0.91 CA1 (0.43) LMNASMN1; SMN2
SCHEMBL2856385 0.90 CCR1 (0.44) LMNAEPHX2PTGS2KEAP1NFE2L2
SCHEMBL2862974 0.90 KEAP1 (0.50) LMNASMN1; SMN2EPHX2PTGS2KEAP1
SCHEMBL2855798 0.89 MAPT (0.45) LMNASMN1; SMN2EPHX2PTGS2KEAP1
SCHEMBL2856588 0.89 KEAP1 (0.42) LMNASMN1; SMN2EPHX2PTGS2KEAP1
SCHEMBL2869545 0.87 KEAP1 (0.40) LMNASMN1; SMN2EPHX2PTGS2KEAP1
SCHEMBL2860990 0.87 KEAP1 (0.43) LMNAEPHX2PTGS2KEAP1NFE2L2
SCHEMBL2856867 0.86 NPC1 (0.53) LMNASMN1; SMN2MAPTHTR2ANPY5R
SCHEMBL2861646 0.86 NPC1 (0.42) MAPTHTR2ANPY5RKDM4EGAA
SCHEMBL2852487 0.86 MAPT (0.48) SMN1; SMN2EPHX2PTGS2KEAP1NFE2L2

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