SCHEMBL24814271

SCHEMBL24814271

CC(C)(C)[S+]([O-])NC(CCCc1ccccc1)c1ccccn1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.37
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
CHRM2 P08172 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
MMP2 P08253 4/20 0.33
MMP3 P08254 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2C19 P33261 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
SCHEMBL29178318 1.00 HPGD (0.37) HPGDALDH1A1GAACHRM2SLC6A2
SCHEMBL29178321 1.00 HPGD (0.37) HPGDALDH1A1GAACHRM2SLC6A2
SCHEMBL29178463 0.88 HPGD (0.38) HPGDALDH1A1GAAMMP2MMP3
SCHEMBL25139599 0.88 HPGD (0.38) HPGDALDH1A1GAAMMP2MMP3
SCHEMBL29178461 0.88 HPGD (0.38) HPGDALDH1A1GAAMMP2MMP3
SCHEMBL24814186 0.80 FAAH (0.36) HPGDMMP2MMP3
SCHEMBL29178383 0.80 FAAH (0.36) HPGDMMP2MMP3
SCHEMBL29178388 0.80 FAAH (0.36) HPGDMMP2MMP3
SCHEMBL25139811 0.78 G6PC1 (0.30)
SCHEMBL18640955 0.78 CYP1A2 (0.40) ALDH1A1GAASMN1; SMN2CYP2C19

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-2022272106-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2022-12-29 WO disclosed