SCHEMBL11155474

SCHEMBL11155474

CCCCOP(=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)OCCCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 4/20 0.57
ATP4B P51164 4/20 0.57
RAB9A P51151 5/20 0.52
KDM4E B2RXH2 4/20 0.52
NPC1 O15118 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
PKM P14618 1/20 0.52
MAPT P10636 5/20 0.49
RXFP1 Q9HBX9 1/20 0.49
GAA P10253 3/20 0.48
KMT2A Q03164 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
APP P05067 4/20 0.46
NOD2 Q9HC29 2/20 0.46
GLA P06280 2/20 0.46
MEN1 O00255 1/20 0.46
PAX8 Q06710 1/20 0.46

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
SCHEMBL11160844 0.93 RAB9A (0.51) ATP4AATP4BRAB9AKDM4ENPC1
SCHEMBL11427612 0.89 ATP4A (0.50) ATP4AATP4BRAB9AKDM4ENPC1
Fostedil SCHEMBL29387277 0.88 KDM4E (0.53) ATP4AATP4BRAB9AKDM4ENPC1
Fostedil SCHEMBL612913 0.88 KDM4E (0.53) ATP4AATP4BRAB9AKDM4ENPC1
SCHEMBL11153617 0.83 RAB9A (0.59) RAB9AKDM4ENPC1SMN1; SMN2PKM
SCHEMBL11435496 0.81 ATP4A (0.44) ATP4AATP4BRAB9AKDM4ENPC1
SCHEMBL15462904 0.80 ATP4A (0.83) ATP4AATP4BRAB9AKDM4ENPC1
SCHEMBL10707569 0.80 RAB9A (0.54) RAB9AKDM4ENPC1SMN1; SMN2PKM
SCHEMBL11159543 0.80 RAB9A (0.56) RAB9AKDM4ENPC1SMN1; SMN2PKM
SCHEMBL7407359 0.80 RAB9A (0.50) ATP4AATP4BRAB9AKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0010120-B1 1-(BENZOTHIAZOL-2-YL)-4-DIALKOXYPHOSPHINYL METHYLBENZENE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KANEBO, LTD. (JP) 1983-03-02 EP claimed
US-4232010-A CARDIOTONIC AND HYPOTENSIVE AGENTS KANEBO, LTD. (JP) 1980-11-04 US claimed
EP-0010120-A1 1-(benzothiazol-2-yl)-4-dialkoxyphosphinyl methylbenzene derivatives and pharmaceutical compositions containing them KANEBO, LTD. (JP) 1980-04-30 EP claimed
EP-0010120-B1 1-(BENZOTHIAZOL-2-YL)-4-DIALKOXYPHOSPHINYL METHYLBENZENE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KANEBO, LTD. (JP) 1983-03-02 EP disclosed
US-4232010-A CARDIOTONIC AND HYPOTENSIVE AGENTS KANEBO, LTD. (JP) 1980-11-04 US disclosed
EP-0010120-A1 1-(benzothiazol-2-yl)-4-dialkoxyphosphinyl methylbenzene derivatives and pharmaceutical compositions containing them KANEBO, LTD. (JP) 1980-04-30 EP disclosed