SCHEMBL29286191

SCHEMBL29286191

c1ccc2sc(-c3ccn[nH]3)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ILK Q13418 9/20 0.56
NPC1 O15118 7/20 0.53
RAB9A P51151 7/20 0.53
KDM4E B2RXH2 6/20 0.53
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 2/20 0.53
HSD17B10 Q99714 2/20 0.53
TSHR P16473 1/20 0.53
MAPT P10636 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
HPGD P15428 1/20 0.50
PPARG P37231 1/20 0.50
NCOA2 Q15596 1/20 0.50
NCOA1 Q15788 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
GAA P10253 2/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL18752674 0.87 RAB9A (0.59) ILKNPC1RAB9AKDM4EALDH1A1
SCHEMBL827403 0.77 RAB9A (0.67) ILKNPC1RAB9AKDM4EALDH1A1
Hydrogen Sulfide SCHEMBL16859912 0.75 RAB9A (0.64) ILKNPC1RAB9AKDM4EALDH1A1
Methane SCHEMBL28056221 0.75 RAB9A (0.64) ILKNPC1RAB9AKDM4EALDH1A1
Hydrogen Sulfide SCHEMBL28205214 0.75 RAB9A (0.64) ILKNPC1RAB9AKDM4EALDH1A1
SCHEMBL7675993 0.74 NPC1 (0.50) ILKNPC1RAB9AKDM4EALDH1A1
SCHEMBL2165278 0.72 ILK (1.00) ILKNPC1RAB9AKDM4EALDH1A1
SCHEMBL231307 0.71 KDM4E (0.75) ILKNPC1RAB9AKDM4EALDH1A1
SCHEMBL29474819 0.71 RAB9A (0.81) ILKNPC1RAB9AKDM4EALDH1A1
SCHEMBL366824 0.71 RAB9A (0.81) ILKNPC1RAB9AKDM4EALDH1A1

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-118344776-A Vulcanized rubber modified acrylic emulsion for steel corrosion prevention and preparation method thereof 珠海市金团化学品有限公司 2024-07-16 CN disclosed