SCHEMBL8700435

SCHEMBL8700435

N#Cc1occc1-c1cccc(C(=O)CS(=O)(=O)ONC(=N)N)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.32
BTK Q06187 1/20 0.31
ATIC P31939 1/20 0.31
HSD11B1 P28845 1/20 0.30
F10 P00742 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
CFD P00746 1/20 0.30

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
SCHEMBL27452727 0.85 KAT6A (0.33) KAT6AHSD11B1F10PRSS1PRSS2
SCHEMBL27476255 0.82 KAT6A (0.33) KAT6AF10PRSS1PRSS2PRSS3
SCHEMBL8705969 0.80 BTK (0.33) KAT6ABTKATICHSD11B1F10
SCHEMBL8705383 0.78 KISS1R (0.35) KAT6A
SCHEMBL8700431 0.78 KAT6A (0.36) KAT6AF10PRSS1PRSS2PRSS3
SCHEMBL8699108 0.77 SERPINE1 (0.39) PRSS1PRSS2PRSS3
SCHEMBL8703824 0.76 KAT6A (0.46) KAT6AF10
Guanidine SCHEMBL8700429 0.76 CHRM2 (0.36) F10PRSS1PRSS2PRSS3CHRM2
SCHEMBL8703300 0.75 HRH3 (0.33) KAT6AATICHSD11B1
SCHEMBL27361121 0.75 PFKFB3 (0.36) KAT6AF10PRSS1PRSS2PRSS3

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-5824691-A CARDIOVASCULAR, CEREBROVASCULAR, RENAL DISEASES; SHOCK, ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-20 US disclosed