SCHEMBL18029620

SCHEMBL18029620

CNc1nc(C(C)(C)C)cc(C(C)(C)C)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSD17B10 Q99714 1/20 0.41
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE4A P27815 3/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.36
KDM4E B2RXH2 2/20 0.36
XBP1 P17861 1/20 0.36
IDH2 P48735 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CRHBP P24387 1/20 0.34

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
SCHEMBL25974193 0.74 IDH2 (0.50) HPGDATML3MBTL1HSD17B10MAPT
SCHEMBL18007531 0.72 MAPT (0.46) MAPTMEN1ALDH1A1KMT2AKDM4E
SCHEMBL12579013 0.70 HSD17B10 (0.45) HSD17B10KDM4ETSHRHMGCR
SCHEMBL173244 0.70 HMGCR (0.46) HSD17B10KDM4EHMGCR
SCHEMBL21586573 0.70 HSD17B10 (0.37) HPGDHSD17B10KDM4ETSHRHMGCR
SCHEMBL18007575 0.69 HSD17B10 (0.72) L3MBTL1HSD17B10MAPTKDM4E
SCHEMBL12257760 0.69 HRH4 (0.53) HPGDL3MBTL1HSD17B10MAPTMEN1
SCHEMBL26777976 0.69 NOS3 (0.38) HSD17B10KDM4EHMGCR
SCHEMBL26739799 0.69 NOS3 (0.38) HPGDL3MBTL1HSD17B10MAPTALDH1A1
SCHEMBL25846980 0.69 NOS3 (0.42) HSD17B10MAPTALDH1A1KMT2AKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3888749-A1 SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME The University of Queensland (AU) 2021-10-06 EP disclosed
WO-2016131098-A1 SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME THE UNIVERSITY OF QUEENSLAND (AU) 2016-08-25 WO disclosed