SCHEMBL10650000

SCHEMBL10650000

c1ccc(CSC2=Nc3ccccc3[N]2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.50
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
KDM4E B2RXH2 2/20 0.46
MAPT P10636 6/20 0.44
CYP1A2 P05177 4/20 0.43
CYP2E1 P05181 3/20 0.43
CYP2C8 P10632 3/20 0.43
CYP2D6 P10635 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2B6 P20813 3/20 0.43
CYP2C19 P33261 3/20 0.43
DAO P14920 1/20 0.43
TSHR P16473 3/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HBB P68871 1/20 0.42
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41

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
SCHEMBL432670 0.74 NPC1 (0.59) SMN1; SMN2NPC1RAB9AKDM4EMAPT
SCHEMBL29405082 0.74 NPC1 (0.59) SMN1; SMN2NPC1RAB9AKDM4EMAPT
SCHEMBL6639863 0.72 NPC1 (0.61) SMN1; SMN2NPC1RAB9AKDM4EMAPT
Hydrochloric Acid SCHEMBL10562402 0.71 NPC1 (0.59) SMN1; SMN2NPC1RAB9AKDM4EMAPT
SCHEMBL23691408 0.71 NPC1 (0.60) SMN1; SMN2NPC1RAB9AKDM4EMAPT
SCHEMBL10649994 0.70 NPC1 (0.54) SMN1; SMN2NPC1RAB9AKDM4EMAPT
Hydrochloric Acid SCHEMBL9056336 0.70 RAB9A (0.54) SMN1; SMN2NPC1RAB9AKDM4EMAPT
SCHEMBL11445226 0.69 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AKDM4EMAPT
SCHEMBL6130015 0.69 CYP1A2 (0.63) SMN1; SMN2NPC1RAB9AKDM4EMAPT
Hydrochloric Acid SCHEMBL10564648 0.69 NPC1 (0.58) SMN1; SMN2NPC1RAB9AKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0120589-B1 IMIDAZO-HETEROCYCLIC COMPOUNDS, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-06-08 EP disclosed
US-4621084-A CARDIOTONIC, ANTIULCER FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-11-04 US disclosed
EP-0120589-A1 Imidazo-heterocyclic compounds, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-03 EP disclosed