SCHEMBL28402883

SCHEMBL28402883

O=C1C=C(c2nc3ccccc3s2)C(=O)N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.46
RAB9A P51151 10/20 0.45
NPC1 O15118 9/20 0.45
KDM4E B2RXH2 7/20 0.45
ALDH1A1 P00352 6/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
TP53 P04637 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TSHR P16473 1/20 0.45
ILK Q13418 4/20 0.44
MAPT P10636 5/20 0.44
KMT2A Q03164 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
MEN1 O00255 3/20 0.44
GAA P10253 2/20 0.44
APP P05067 2/20 0.44
MMP9 P14780 2/20 0.44
MMP8 P22894 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL2607282 0.74 RAB9A (0.50) TDP2RAB9ANPC1KDM4EALDH1A1
SCHEMBL27368118 0.73 RAB9A (0.46) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL827403 0.73 RAB9A (0.67) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
Hydrogen Sulfide SCHEMBL16859912 0.71 RAB9A (0.64) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
Methane SCHEMBL28056221 0.71 RAB9A (0.64) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
Hydrogen Sulfide SCHEMBL28205214 0.71 RAB9A (0.64) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL31345019 0.70 RAB9A (0.53) TDP2RAB9ANPC1KDM4EALDH1A1
SCHEMBL27663126 0.69 PLAUR (0.41) RAB9AKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL29362194 0.69 PARP1 (0.33) RAB9AKDM4EALDH1A1SMN1; SMN2TP53
SCHEMBL29474819 0.68 RAB9A (0.81) RAB9ANPC1KDM4EALDH1A1SMN1; 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
CN-108003285-B acrylamide/N-benzothiazole maleimide copolymer fluorescent microsphere tracer for oil field and preparation method thereof 黄永超 2020-02-28 CN disclosed