SCHEMBL31703239

SCHEMBL31703239

N#Cc1cc(Cl)cc(CN2CCOCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.47
RAPGEF3 O95398 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
TMEM97 Q5BJF2 3/20 0.45
SIGMAR1 Q99720 3/20 0.45
CYP2A13 Q16696 2/20 0.44
DYRK3 O43781 1/20 0.42
CDK1 P06493 1/20 0.42
CDK2 P24941 1/20 0.42
GSK3B P49841 1/20 0.42
CDK7 P50613 1/20 0.42
CDK5 Q00535 1/20 0.42
CAMK2G Q13555 1/20 0.42
MARK2 Q7KZI7 1/20 0.42
PIM3 Q86V86 1/20 0.42
MINK1 Q8N4C8 1/20 0.42
PRKD2 Q9BZL6 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
SGK2 Q9HBY8 1/20 0.42
STK17A Q9UEE5 1/20 0.42

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
SCHEMBL250720 0.82 NCF1 (0.44) HRH3DYRK3CDK1CDK2GSK3B
SCHEMBL31703336 0.82 NCF1 (0.44) HRH3DYRK3CDK1CDK2GSK3B
SCHEMBL155961 0.79 HRH3 (0.65) HRH3DYRK3CDK1CDK2GSK3B
SCHEMBL1570308 0.77 HRH3 (0.45) HRH3DYRK3CDK1CDK2GSK3B
SCHEMBL29809064 0.77 NCF1 (0.60) HRH3CDK1CDK7SMN1; SMN2NPC1
SCHEMBL13834647 0.77 NCF1 (0.60) HRH3CDK1CDK7SMN1; SMN2NPC1
SCHEMBL23239918 0.76 HRH3 (0.51) HRH3L3MBTL1TMEM97SIGMAR1CYP2A13
SCHEMBL23213253 0.76 HRH3 (0.51) HRH3L3MBTL1TMEM97SIGMAR1CYP2A13
SCHEMBL29796217 0.76 HRH3 (0.51) HRH3L3MBTL1TMEM97SIGMAR1CYP2A13
SCHEMBL249180 0.76 ALDH1A1 (0.57) MAPTSMN1; 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
WO-2025215121-A1 HEDGEHOG ACYLTRANSFERASE INHIBITORS IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2025-10-16 WO disclosed