SCHEMBL8420749

SCHEMBL8420749

Cc1ccc(-c2cc(-c3ccc(C)cc3)n(NS(=O)(=O)c3ccccc3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
CYP2C9 P11712 1/20 0.52
NPY5R Q15761 4/20 0.51
PTGS2 P35354 3/20 0.47
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MCL1 Q07820 1/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.41
STAT1 P42224 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL8026973 0.94 CYP2C9 (0.47) MAPTCYP2C9NPY5RPTGS2SMN1; SMN2
SCHEMBL8422295 0.94 CYP2C9 (0.47) MAPTCYP2C9NPY5RPTGS2SMN1; SMN2
SCHEMBL8422371 0.90 MAPT (0.45) MAPTCYP2C9NPY5RALDH1A1MEN1
SCHEMBL8422134 0.87 MAPT (0.51) MAPTCYP2C9NPY5RPTGS2ALDH1A1
SCHEMBL8421857 0.87 UQCRB (0.43) MAPTCYP2C9NPY5RPTGS2MEN1
SCHEMBL8421776 0.87 KDM1A (0.47) MAPTPTGS2MEN1KMT2AKDM4E
SCHEMBL8422144 0.87 MAPT (0.45) MAPTCYP2C9NPY5RPTGS2ALDH1A1
SCHEMBL8423873 0.87 MAPT (0.47) MAPTCYP2C9NPY5RALDH1A1MEN1
SCHEMBL8420265 0.86 NPY5R (0.51) MAPTCYP2C9NPY5RPTGS2ALDH1A1
SCHEMBL8420779 0.86 ALDH1A1 (0.41) MAPTCYP2C9NPY5RPTGS2ALDH1A1

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
US-5908852-A 1,3,5 trisubstituted pyrazole compounds for treatment of inflammation G. D. SEARLE & CO. (US) 1999-06-01 US disclosed