SCHEMBL28569641

SCHEMBL28569641

Nc1nc(N)nc(CS)n1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
CASP1 P29466 1/20 0.52
CYP1A2 P05177 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 3/20 0.32
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL27751499 0.75 CASP1 (0.47) MAPTCASP1CYP1A2SMN1; SMN2NPC1
SCHEMBL1707608 0.73 CASP1 (0.58) CASP1CYP1A2SMN1; SMN2NPC1RAB9A
SCHEMBL4448651 0.73 CASP1 (0.77) CASP1CYP1A2SMN1; SMN2NPC1RAB9A
SCHEMBL19398338 0.73 MAPT (0.46) MAPTTDP1
SCHEMBL4452403 0.71 MAPT (1.00) MAPTTDP1SMN1; SMN2NPC1RAB9A
SCHEMBL25853 0.71
SCHEMBL9579151 0.71 CASP1 (0.50) MAPTCASP1CYP1A2SMN1; SMN2NPC1
SCHEMBL8465809 0.71 CASP1 (0.50) MAPTCASP1CYP1A2SMN1; SMN2NPC1
SCHEMBL29900242 0.71
SCHEMBL29876207 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-121849914-A MOF-based porous carbon positive electrode material, preparation method thereof and application thereof in lithium battery 临沂大学 2026-04-14 CN disclosed
CN-107850859-B Stripping composition for removing photoresist on semiconductor substrate 富士胶片电子材料美国有限公司 2021-06-01 CN disclosed