SCHEMBL23010902

SCHEMBL23010902

Cc1cc(Oc2ccccc2)nc(S)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.63
MAPK1 P28482 4/20 0.63
CYP1A2 P05177 4/20 0.63
CYP2C19 P33261 4/20 0.63
L3MBTL1 Q9Y468 3/20 0.63
CYP2C9 P11712 3/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
HPGD P15428 2/20 0.63
ATM Q13315 1/20 0.63
HTT P42858 3/20 0.61
TSHR P16473 4/20 0.55
NPSR1 Q6W5P4 2/20 0.55
SMN1; SMN2 Q16637 4/20 0.52
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
HSD17B10 Q99714 2/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 4/20 0.46
NPC1 O15118 2/20 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
SCHEMBL17623918 0.81 MAPT (0.67) MAPTMAPK1CYP1A2CYP2C19L3MBTL1
SCHEMBL23010794 0.79 MEN1 (0.53) MAPTMAPK1CYP1A2CYP2C19L3MBTL1
SCHEMBL20274800 0.79 SLC6A2 (0.48) MAPTMAPK1CYP1A2CYP2C19L3MBTL1
SCHEMBL4528068 0.79 NPC1 (0.67) MAPTMAPK1CYP1A2CYP2C19L3MBTL1
SCHEMBL446237 0.79 MAPT (0.63) MAPTMAPK1CYP1A2CYP2C19L3MBTL1
SCHEMBL8666534 0.76 KMT2A (1.00) MAPTMAPK1CYP1A2CYP2C19L3MBTL1
SCHEMBL19317589 0.76 MAPT (0.59) MAPTMAPK1CYP1A2CYP2C19L3MBTL1
SCHEMBL16579676 0.75 MAPT (0.58) MAPTMAPK1CYP1A2CYP2C19L3MBTL1
SCHEMBL11256504 0.75 MAPT (0.58) MAPTMAPK1CYP1A2CYP2C19L3MBTL1
SCHEMBL10966164 0.73 CYP1A2 (0.85) MAPTMAPK1CYP1A2CYP2C19L3MBTL1

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
EP-3194385-B3 N-(HETERO)ARYL-SUBSTITUTED HETEROYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES OR CONDITIONS RELATED TO THE CENTRAL NERVOUS SYSTEM CHRONOS THERAPEUTICS LTD (GB) 2021-02-17 EP disclosed