SCHEMBL8551988

SCHEMBL8551988

CC(=O)Nc1ccc(-n2ncc(C#N)c2NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.73
PTGS1 P23219 7/20 0.73
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA4 P22748 2/20 0.47
CA6 P23280 2/20 0.47
CA5A P35218 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA13 Q8N1Q1 2/20 0.47
CA14 Q9ULX7 2/20 0.47
TP53 P04637 1/20 0.47
LMNA P02545 1/20 0.46
PPARG P37231 1/20 0.45
RAB9A P51151 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
NR2E3 Q9Y5X4 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL8556342 0.93 PTGS2 (0.72) PTGS2PTGS1TP53LMNASMN1; SMN2
SCHEMBL8552523 0.88 PTGS2 (0.66) PTGS2PTGS1CA12CA1CA2
SCHEMBL8553129 0.88 PTGS2 (0.66) PTGS2PTGS1LMNASMN1; SMN2FPR1
SCHEMBL8550834 0.88 PTGS2 (0.66) PTGS2PTGS1LMNASMN1; SMN2FPR1
SCHEMBL8554553 0.88 PTGS2 (0.66) PTGS2PTGS1LMNAFPR1
SCHEMBL8559075 0.86 PTGS2 (0.63) PTGS2PTGS1LMNASMN1; SMN2FPR1
SCHEMBL8554850 0.81 PTGS2 (0.53) PTGS2PTGS1CA12CA1CA2
SCHEMBL8552699 0.80 PTGS1 (0.55) PTGS2PTGS1CA12CA1CA2
SCHEMBL8551424 0.80 PTGS1 (0.65) PTGS2PTGS1CA12CA1CA2
SCHEMBL8554538 0.80 PTGS1 (0.54) PTGS2PTGS1CA12CA1CA2

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-0885890-A1 SULFONYLUREIDOPYRAZOLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-12-23 EP disclosed