SCHEMBL25413652

SCHEMBL25413652

O=C(O)c1csc(-c2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.62
MEN1 O00255 1/20 0.62
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
KMT2A Q03164 1/20 0.62
ALDH1A1 P00352 2/20 0.60
KMO O15229 1/20 0.58
MAPT P10636 1/20 0.58
EIF4E P06730 9/20 0.57
LDHA P00338 1/20 0.55
PLA2G10 O15496 1/20 0.54

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
SCHEMBL9911663 0.87 ALDH1A1 (0.56) ALDH1A1KMOEIF4EPLA2G10
SCHEMBL3240109 0.83 ALDH1A1 (0.58) KDM4EMEN1NPC1RAB9AKMT2A
SCHEMBL3412110 0.82 ALDH1A1 (0.71) KDM4EMEN1NPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL6821165 0.81 ALDH1A1 (0.69) KDM4EMEN1NPC1RAB9AKMT2A
SCHEMBL4355343 0.80 TLR7 (0.64) KDM4EMEN1KMT2AALDH1A1KMO
SCHEMBL17166011 0.79 ALDH1A1 (0.62) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL18002724 0.79 RAB9A (0.61) KDM4EMEN1NPC1RAB9AKMT2A
SCHEMBL5347867 0.79 ALDH1A1 (0.61) KDM4EMEN1RAB9AKMT2AALDH1A1
SCHEMBL14566274 0.78 ALDH1A1 (0.60) KDM4ENPC1RAB9AALDH1A1PLA2G10
SCHEMBL9613341 0.78 ALDH1A1 (0.69) KDM4ENPC1RAB9AALDH1A1PLA2G10

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-2023170024-A1 CAMK2 MODULATORS AND THEIR USE IN MEDICINE UNIVERSITY OF COPENHAGEN (DK) 2023-09-14 WO disclosed