SCHEMBL30237178

SCHEMBL30237178

Cc1ncc(C(Cl)=NOCC(O)CN2CCCCC2)s1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSF1 Q00613 14/20 0.55
ATM Q13315 1/20 0.43
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 2/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL30237248 0.77 HSF1 (0.56) HSF1ATMPOLBTSHR
SCHEMBL30237520 0.75 HSF1 (0.54) HSF1ATMCYP2D6CYP2C19TSHR
Hydrochloric Acid SCHEMBL3068296 0.75 HSF1 (0.57) HSF1ATMCYP2D6CYP2C19KDM4E
Hydrochloric Acid SCHEMBL3068294 0.75 HSF1 (0.57) HSF1ATMCYP2D6CYP2C19KDM4E
SCHEMBL30237259 0.73 HSF1 (0.56) HSF1ATMCYP2D6CYP2C19POLB
SCHEMBL3060503 0.73 HSF1 (0.60) HSF1ATMCYP2D6CYP2C19POLB
SCHEMBL3060495 0.73 HSF1 (0.60) HSF1ATMCYP2D6CYP2C19POLB
SCHEMBL9426850 0.73 HSF1 (0.60) HSF1ATMCYP2D6CYP2C19KDM4E
SCHEMBL9426852 0.73 HSF1 (0.60) HSF1ATMCYP2D6CYP2C19KDM4E
SCHEMBL6009202 0.72 HSF1 (0.65) HSF1CYP2D6KDM4ETSHRHIF1A

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
EP-4408533-A1 OXIMES AND THEIR USE IN TREATMENT OF GBA-RELATED DISEASES Zevra Denmark A/S (DK) 2024-08-07 EP disclosed
WO-2023053008-A1 OXIMES AND THEIR USE IN TREATMENT OF GBA-RELATED DISEASES KEMPHARM DENMARK A/S (DK) 2023-04-06 WO disclosed