SCHEMBL8066255

SCHEMBL8066255

S=C1CC=CC=C1c1nc2ccccc2s1.S=C1CC=CC=C1c1nc2ccccc2s1.[Zn]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.44
KDM4E B2RXH2 9/20 0.44
NPC1 O15118 8/20 0.44
ALDH1A1 P00352 6/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
L3MBTL1 Q9Y468 5/20 0.44
MAPT P10636 5/20 0.44
GAA P10253 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
TP53 P04637 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TSHR P16473 1/20 0.42
APP P05067 3/20 0.41
GLA P06280 3/20 0.41
PKM P14618 1/20 0.41
PAX8 Q06710 1/20 0.41
NOD2 Q9HC29 1/20 0.41
TNF P01375 1/20 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
SCHEMBL7808016 0.83 RAB9A (0.44) RAB9AKDM4ENPC1ALDH1A1SMN1; SMN2
SCHEMBL8076439 0.72 NPC1 (0.43) RAB9AKDM4ENPC1ALDH1A1SMN1; SMN2
SCHEMBL827403 0.70 RAB9A (0.67) RAB9AKDM4ENPC1ALDH1A1SMN1; SMN2
SCHEMBL12687384 0.69 NPC1 (0.45) RAB9AKDM4ENPC1ALDH1A1SMN1; SMN2
SCHEMBL22756256 0.69 RAB9A (0.45) RAB9AKDM4ENPC1ALDH1A1SMN1; SMN2
SCHEMBL12687385 0.69 CHRM2 (0.47) RAB9AKDM4ENPC1ALDH1A1SMN1; SMN2
Hydrogen Sulfide SCHEMBL16859912 0.68 RAB9A (0.64) RAB9AKDM4ENPC1ALDH1A1SMN1; SMN2
Methane SCHEMBL28056221 0.68 RAB9A (0.64) RAB9AKDM4ENPC1ALDH1A1SMN1; SMN2
Hydrogen Sulfide SCHEMBL28205214 0.68 RAB9A (0.64) RAB9AKDM4ENPC1ALDH1A1SMN1; SMN2
SCHEMBL3866491 0.68 CYP1A2 (0.45) RAB9AKDM4ENPC1ALDH1A1SMN1; SMN2

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
JP-2000252064-A ORGANIC ELECTROLUMINESCENT ELEMENT KURARAY CO LTD 2000-09-14 JP disclosed