SCHEMBL21586573

SCHEMBL21586573

CNCc1nc(C(C)(C)C)cc(C(C)(C)C)n1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.37
HMGCR P04035 5/20 0.33
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
CDK2 P24941 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL24133940 0.81 HSP90AA1 (0.38) HSD17B10HPGDTSHRKDM4E
SCHEMBL19871662 0.75 HSD17B10 (0.41) HSD17B10HMGCRKDM4E
SCHEMBL21341471 0.72 HMGCR (0.46) HSD17B10HMGCR
SCHEMBL17789406 0.71 HSP90AA1 (0.50) HSD17B10HPGDTSHRKDM4E
SCHEMBL12092561 0.70 HTT (0.43) TSHRKDM4E
SCHEMBL18029620 0.70 HPGD (0.42) HSD17B10HMGCRHPGDTSHRKDM4E
SCHEMBL21341345 0.69 HMGCR (0.34) HMGCR
SCHEMBL12579013 0.66 HSD17B10 (0.45) HSD17B10HMGCRTSHRKDM4E
SCHEMBL173244 0.66 HMGCR (0.46) HSD17B10HMGCRKDM4E
SCHEMBL23613212 0.65 ALDH1A1 (0.31)

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-3578547-A1 SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME The University of Queensland (AU) 2019-12-11 EP disclosed