SCHEMBL7915976

SCHEMBL7915976

O=[N+]([O-])c1ccc2cccc3c2c1NS3(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.39
MAPT P10636 5/20 0.39
KMT2A Q03164 5/20 0.39
KDM4E B2RXH2 4/20 0.39
TDP1 Q9NUW8 4/20 0.39
HSD17B10 Q99714 3/20 0.39
RECQL P46063 2/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CYP3A4 P08684 2/20 0.39
APEX1 P27695 2/20 0.39
CYP1A2 P05177 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
CYP2C19 P33261 1/20 0.39
NOS2 P35228 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL7916009 0.74 SLC40A1 (0.39) MEN1MAPTKMT2AKDM4ETDP1
SCHEMBL4612017 0.68 PARP1 (0.53) MEN1MAPTKMT2AKDM4ETDP1
SCHEMBL812924 0.68 CA12 (0.47) MEN1MAPTKMT2AKDM4ETDP1
SCHEMBL30442903 0.68 CA12 (0.47) MEN1MAPTKMT2AKDM4ETDP1
Pyrene SCHEMBL27684019 0.67 ALDH1A1 (0.63) MEN1MAPTKMT2AKDM4ETDP1
SCHEMBL30834919 0.67 RET (0.56) MEN1MAPTKMT2AKDM4ETDP1
SCHEMBL4945188 0.67 RET (0.56) MEN1MAPTKMT2AKDM4ETDP1
SCHEMBL187697 0.66 ALDH1A1 (0.61) MEN1MAPTKMT2AKDM4ETDP1
SCHEMBL29626558 0.66 ALDH1A1 (0.61) MEN1MAPTKMT2AKDM4ETDP1
1-Nitropyrene SCHEMBL339725 0.66 ALDH1A1 (0.57) MEN1MAPTKMT2AKDM4ETDP1

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-6221889-B1 INTERLEUKIN ANTAGONIST; SKIN DISORDERS, RESPIRATORY SYSTEM DISORDERS, RHEUMATIC DISORDERS SMITHKLINE BEECHAM CORPORATION 2001-04-24 US disclosed