SCHEMBL25837417

SCHEMBL25837417

N#Cc1c2c(cc3c1CCC3)CCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.37
▸ ALDH1A1 P00352 9/20 0.36
▸ MAPT P10636 4/20 0.36
▸ HPGD P15428 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ APOBEC3G Q9HC16 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ BPTF Q12830 2/20 0.35
▸ HSD17B10 Q99714 5/20 0.35
▸ ALOX15 P16050 2/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ XDH P47989 1/20 0.35
▸ SLC22A12 Q96S37 1/20 0.35
▸ GAA P10253 3/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ NSD2 O96028 1/20 0.34
▸ CASP1 P29466 3/20 0.34
▸ NLRP3 Q96P20 2/20 0.34
▸ GLA P06280 1/20 0.34
▸ ADORA2A P29274 1/20 0.33

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
SCHEMBL11038159 0.80 ALDH1A1 (0.41) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL13091633 0.78 KDM4E (0.40) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL21567337 0.74 NOTUM (0.40) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL25119554 0.73 BCL2L1 (0.42) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL28308270 0.72 KDM4E (0.48) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL29479151 0.71 ALDH1A1 (0.34) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL24373453 0.71 ALDH1A1 (0.34) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL8255373 0.71 MAPT (0.40) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL19869343 0.71 NLRP3 (0.32) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL9748738 0.71 MAPK1 (0.45) KDM4EALDH1A1MAPTHPGDAPOBEC3G

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
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