SCHEMBL31489083

SCHEMBL31489083

CC(C)(C)OC(=O)NS(=O)(=O)N1CC=C(c2ccc(N)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 7/20 0.47
CDK9 P50750 7/20 0.47
MMP2 P08253 7/20 0.41
MMP3 P08254 7/20 0.41
MMP14 P50281 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
NAMPT P43490 2/20 0.39
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL31489049 0.85 CCNT1 (0.45) CCNT1CDK9MMP2MMP3MMP14
SCHEMBL31489159 0.81 NAMPT (0.46) CCNT1CDK9MMP2MMP3MMP14
SCHEMBL31488864 0.75 NAMPT (0.66) NAMPT
SCHEMBL31488823 0.75 NAMPT (0.56) CCNT1CDK9NAMPT
SCHEMBL2908091 0.74 NAMPT (0.60) NAMPT
SCHEMBL29227506 0.74 NAMPT (0.60) NAMPT
SCHEMBL31489060 0.74 NAMPT (0.56) NAMPT
SCHEMBL31488992 0.74 NAMPT (0.56) NAMPT
SCHEMBL14320646 0.73 TDO2 (0.49) CCNT1CDK9MMP2MMP3LMNA
SCHEMBL2801676 0.72 CA12 (0.39) CCNT1CDK9L3MBTL1

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-2025072437-A1 HETEROARYL COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS ALPHINA THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed