SCHEMBL31599291

SCHEMBL31599291

CCS(=O)(=O)c1ncc(CNC(=O)c2cncs2)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 2/20 0.36
RAB9A P51151 1/20 0.36
KIF11 P52732 1/20 0.35
HDAC6 Q9UBN7 1/20 0.34
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.34
FLT3 P36888 1/20 0.32
TYRO3 Q06418 1/20 0.32
MERTK Q12866 1/20 0.32
GAS6 Q14393 1/20 0.32
LMNA P02545 1/20 0.32
AR P10275 1/20 0.32
TSHR P16473 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
NAMPT P43490 1/20 0.31
ABL1 P00519 1/20 0.31
GRIN1 Q05586 1/20 0.31

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 0.78 NAMPT (0.42) ACACBKMT2ASMN1; SMN2KIF11TP53
SCHEMBL31599282 0.75 RORC (0.46) SMN1; SMN2TP53MAPTLMNAAR
SCHEMBL3456432 0.72 KMT2A (0.49) ACACBKMT2ASMN1; SMN2KIF11HDAC6
SCHEMBL9326293 0.70 KMT2A (0.46) ACACBKMT2ASMN1; SMN2HPGDRAB9A
SCHEMBL28612859 0.69 LOXL2 (0.33) SMN1; SMN2
SCHEMBL4198171 0.69 KMT2A (0.40) KMT2AHPGDMAPTNAMPT
SCHEMBL11752958 0.67 USP2 (0.40) HPGDRAB9A
SCHEMBL30565173 0.67 WDR5 (0.43) ACACBKMT2ASMN1; SMN2HPGDAR
SCHEMBL3047693 0.66 GLA (0.52) KMT2ASMN1; SMN2HPGDHDAC6TSHR
SCHEMBL30565171 0.66 SMN1; SMN2 (0.54) KMT2ASMN1; SMN2MAPTLMNANAMPT

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