SCHEMBL31599282

SCHEMBL31599282

CCS(=O)(=O)c1ccc(CNC(=O)c2cncs2)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RORC P51449 12/20 0.46
NAMPT P43490 2/20 0.43
TP53 P04637 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
AR P10275 1/20 0.42

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
SCHEMBL31599303 0.82 NAMPT (0.42) RORCNAMPTTP53MAPTSMN1; SMN2
SCHEMBL3047693 0.79 GLA (0.52) SMN1; SMN2MAPK1
SCHEMBL30565171 0.79 SMN1; SMN2 (0.54) NAMPTMAPTSMN1; SMN2MAPK1LMNA
SCHEMBL4753910 0.79 ALDH1A1 (0.64) MAPTSMN1; SMN2
SCHEMBL30474440 0.77 RORC (0.54) RORCCA1CA2
SCHEMBL30565173 0.76 WDR5 (0.43) NAMPTSMN1; SMN2AR
SCHEMBL31599309 0.76 ACACB (0.46) RORC
SCHEMBL31599302 0.76 ACACB (0.46) RORC
SCHEMBL31599291 0.75 ACACB (0.36) NAMPTTP53MAPTSMN1; SMN2LMNA
SCHEMBL30065034 0.74 TSHR (0.66) RORCNAMPTSMN1; SMN2CA2

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
CN-113072546-B Five-membered heteroaromatic derivative and preparation method and application thereof 广东东阳光药业股份有限公司 2025-05-30 CN disclosed