SCHEMBL7288152

SCHEMBL7288152

[O]CC[S+]([O-])c1nc2ccccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
ABCB11 O95342 1/20 0.43
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
DDAH1 O94760 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 2/20 0.41
MASP2 O00187 1/20 0.41
MEN1 O00255 1/20 0.41
NUDT1 P36639 1/20 0.41
AOC3 Q16853 1/20 0.41
BCHE P06276 2/20 0.40
PLAUR Q03405 1/20 0.40
GAA P10253 3/20 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
SCHEMBL7289458 0.89 DDAH1 (0.41) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL7288257 0.88 DDAH1 (0.41) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL7289165 0.87 NPC1 (0.46) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL7288161 0.84 EPHX2 (0.46) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL9509188 0.81 RAB9A (0.54) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL7353284 0.80 DDAH1 (0.41) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL10867335 0.80 ACHE (0.50) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL7354306 0.80 EPHX2 (0.47) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL9560922 0.80 DDAH1 (0.51) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL7289169 0.80 RAB9A (0.46) NPC1RAB9AKDM4EALDH1A1HSD17B10

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
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed