SCHEMBL28655332

SCHEMBL28655332

Clc1cccc(-c2csc(NNC3CCCC3)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
ABL1 P00519 1/20 0.54
KDM1A O60341 3/20 0.52
MAOA P21397 3/20 0.52
MAPT P10636 3/20 0.51
GLA P06280 1/20 0.51
GSTO1 P78417 1/20 0.51
CFTR P13569 2/20 0.49
LMNA P02545 2/20 0.48
SPHK2 Q9NRA0 1/20 0.48
SPHK1 Q9NYA1 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CNR2 P34972 1/20 0.47
ALOX12 P18054 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
CYP19A1 P11511 1/20 0.46

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
Hydrochloric Acid SCHEMBL28656183 0.83 MAPT (0.61) NPC1RAB9AABL1KDM1AMAOA
SCHEMBL23553571 0.75 MAPT (0.74) NPC1RAB9AABL1MAPTGLA
SCHEMBL23553978 0.73 CFTR (0.77) ABL1KDM1AMAOAMAPTGLA
SCHEMBL23691364 0.73 MAPT (0.60) NPC1RAB9AABL1KDM1AMAOA
SCHEMBL17144293 0.72 MAOB (0.73) MAOA
SCHEMBL10815310 0.72 ABL1 (0.80) NPC1RAB9AABL1KDM1AMAOA
SCHEMBL29419343 0.72 MAPT (0.69) NPC1RAB9AABL1KDM1AMAOA
SCHEMBL18387738 0.72 MAPT (0.69) NPC1RAB9AABL1KDM1AMAOA
SCHEMBL10924820 0.72 ABL1 (0.80) ABL1KDM1AMAOAMAPTGLA
SCHEMBL1821159 0.72 RAB9A (1.00) NPC1RAB9AMAOAMAPTLMNA

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-106794125-B NAT10 modulators for the treatment or prevention of laminopathies, aging and cancer 剑桥企业有限公司 2021-11-23 CN claimed