SCHEMBL7275482

SCHEMBL7275482

Nc1ccc2c(c1)NCC(=O)S2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
MAPT P10636 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46
APAF1 O14727 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA9 Q16790 1/20 0.39
BLM P54132 1/20 0.36
IDO1 P14902 1/20 0.32
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
AKR1B1 P15121 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
SCHEMBL15631689 0.79 NOX1 (0.39) MEN1MAPTKMT2AKDM4EGAA
SCHEMBL5739509 0.76 CYP2A6 (0.35) KDM4ETDP1HSD17B10
SCHEMBL8556056 0.73 GAA (0.46) MEN1MAPTKMT2AKDM4EGAA
SCHEMBL3020352 0.70 MAPT (0.47) MEN1MAPTKMT2AKDM4EGAA
SCHEMBL29625260 0.70 MAPT (0.47) MEN1MAPTKMT2AKDM4EGAA
SCHEMBL3594659 0.67 CA9 (0.53) MEN1MAPTKMT2AKDM4EGAA
SCHEMBL2360570 0.67 CA9 (0.53) MEN1MAPTKMT2AKDM4EGAA
SCHEMBL6204345 0.67 MEN1 (0.53) MEN1MAPTKMT2AKDM4EGAA
SCHEMBL21575459 0.66
SCHEMBL2060618 0.66 CA9 (0.51) MEN1MAPTKMT2AKDM4EGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4963677-A TREATMENT OF CONGESTIVE HEART FAILURE ORION CORPORATION LTD. (FI) 1990-10-16 US disclosed
EP-0322746-A1 Heterocyclic compounds ORION CORPORATION LIMITED (FI) 1989-07-05 EP disclosed