SCHEMBL8701432

SCHEMBL8701432

COc1ccc(-n2cccc2)cc1C(=O)CS(=O)(=O)ONC(=N)N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HSD11B1 P28845 1/20 0.40
MRGPRX1 Q96LB2 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
MAPT P10636 2/20 0.35
TDP1 Q9NUW8 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
BLM P54132 1/20 0.34
F2 P00734 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34

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
SCHEMBL8700585 0.81 PDE4B (0.41) ALDH1A1SMN1; SMN2MRGPRX1MAPTKMT2A
SCHEMBL8705533 0.79 AOC2 (0.51) ALDH1A1MAPTTDP1KMT2AL3MBTL1
SCHEMBL8701429 0.78 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2MRGPRX1HCRTR1HCRTR2
SCHEMBL8705142 0.77 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MRGPRX1MAPTKMT2A
Guanidine SCHEMBL8701424 0.74 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MRGPRX1HCRTR1HCRTR2
SCHEMBL8704992 0.73 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2MAPTKMT2AL3MBTL1
SCHEMBL8707033 0.73 AOC2 (0.35) ALDH1A1SMN1; SMN2
SCHEMBL8703318 0.72 AOC2 (0.33) TDP1L3MBTL1F10
SCHEMBL7830164 0.72 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPTKMT2AKDM4E
SCHEMBL7815979 0.72 SLC9A1 (0.47) ALDH1A1SMN1; SMN2

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