SCHEMBL31489159

SCHEMBL31489159

CC(C)(C)OC(=O)NS(=O)(=O)N1CC=C(c2ccc(NC(=O)Oc3ccccc3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.46
LIPE Q05469 1/20 0.46
GAA P10253 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CCNT1 O60563 1/20 0.42
CDK9 P50750 1/20 0.42
MMP2 P08253 2/20 0.42
MMP3 P08254 2/20 0.42
ALDH1A1 P00352 6/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
USP2 O75604 1/20 0.41
MMP14 P50281 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41
MEN1 O00255 2/20 0.40
THRB P10828 1/20 0.40
GFER P55789 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL31489051 0.84 NAMPT (0.44) NAMPTLIPEGAANPSR1MMP2
SCHEMBL31488923 0.81 NAMPT (0.68) NAMPTLIPEGAANPSR1ALDH1A1
SCHEMBL31489083 0.81 CCNT1 (0.47) NAMPTCCNT1CDK9MMP2MMP3
SCHEMBL31489049 0.77 CCNT1 (0.45) NAMPTCCNT1CDK9MMP2MMP3
SCHEMBL31488837 0.77 NAMPT (0.66) NAMPTGAANPSR1ALDH1A1MAPT
SCHEMBL31488992 0.76 NAMPT (0.56) NAMPT
SCHEMBL31489060 0.76 NAMPT (0.56) NAMPT
SCHEMBL31488823 0.76 NAMPT (0.56) NAMPTCCNT1CDK9
SCHEMBL31488864 0.76 NAMPT (0.66) NAMPT
SCHEMBL6815441 0.74 ALDH1A1 (0.69) LIPEGAANPSR1ALDH1A1MAPT

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