SCHEMBL30933201

SCHEMBL30933201

Nc1cncc(C2CCS(=O)(=O)C2)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.38
CYP11B2 P19099 1/20 0.37
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
DDO Q99489 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
IKBKE Q14164 1/20 0.31
TBK1 Q9UHD2 1/20 0.31
IKBKB O14920 1/20 0.30

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
SCHEMBL24757849 1.00 MAPK1 (0.38) MAPK1CYP11B2ALDH1A1KDM4EMEN1
SCHEMBL16679465 0.77 MAPK1 (0.42) MAPK1CYP11B2KMT2A
SCHEMBL14228280 0.77 KDM4E (0.38) CYP11B2ALDH1A1KDM4EMEN1LMNA
SCHEMBL16680561 0.74 MAPK1 (0.38) MAPK1KDM4ELMNAKMT2ASMN1; SMN2
SCHEMBL26548130 0.74 SMN1; SMN2 (0.38) MAPK1MEN1LMNAKMT2ASMN1; SMN2
SCHEMBL19984649 0.73 CYP11B2 (0.41) CYP11B2ALDH1A1KDM4EMEN1LMNA
SCHEMBL24534027 0.73 CYP11B2 (0.46) CYP11B2ALDH1A1KDM4EMEN1LMNA
SCHEMBL2713555 0.69 CYP11B2 (0.41) MAPK1CYP11B2IKBKETBK1
SCHEMBL23623126 0.67 HDAC4 (0.36) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL16678945 0.67 MAPK1 (0.42) MAPK1CYP11B2KMT2AIKBKETBK1

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-117813293-A Urea derivatives useful for the treatment of cancer 蝎子疗法股份有限公司 2024-04-02 CN disclosed