SCHEMBL25833211

SCHEMBL25833211

NSc1cc(-n2cccn2)ccc1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.44
LMNA P02545 1/20 0.43
LRRK2 Q5S007 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
NOTUM Q6P988 1/20 0.41
SYK P43405 7/20 0.40
AVPR2 P30518 1/20 0.39
KAT6A Q92794 2/20 0.39
TBK1 Q9UHD2 2/20 0.38
PDK2 Q15119 1/20 0.37
HDAC4 P56524 1/20 0.37
ERCC1 P07992 1/20 0.36
ERCC4 Q92889 1/20 0.36

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
SCHEMBL6243545 0.80 KAT6A (0.48) CAPN1LMNALRRK2KDM4EALDH1A1
SCHEMBL31709951 0.80 LRRK2 (0.47) CAPN1LMNALRRK2KDM4EALDH1A1
SCHEMBL8425453 0.78 CAPN1 (0.47) CAPN1LMNALRRK2KDM4EALDH1A1
SCHEMBL1785239 0.77 CAPN1 (0.54) CAPN1LMNALRRK2KDM4EALDH1A1
SCHEMBL3342457 0.77 LRRK2 (0.47) CAPN1LMNALRRK2KDM4EALDH1A1
SCHEMBL28988943 0.74 BCAT2 (0.47) CAPN1LMNALRRK2KDM4EALDH1A1
SCHEMBL30411928 0.74 BCAT2 (0.47) CAPN1LMNALRRK2KDM4EALDH1A1
SCHEMBL5104519 0.74 CDC7 (0.53) CAPN1LMNALRRK2KDM4EALDH1A1
SCHEMBL31173853 0.73 LMNA (0.56) LMNALRRK2KDM4EALDH1A1MAPK1
SCHEMBL2161445 0.73 LMNA (0.56) LMNALRRK2KDM4EALDH1A1MAPK1

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-3880666-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-06-28 EP disclosed