SCHEMBL31416109

SCHEMBL31416109

CCN(C[C@H](C)O)C(=S)Nc1ncc(Oc2ccc(F)cc2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 11/20 0.39
▸ MAPK1 P28482 1/20 0.37
▸ KMT2A Q03164 3/20 0.32
▸ MAPT P10636 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ APOBEC3G Q9HC16 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ LTA4H P09960 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ ALOX12 P18054 1/20 0.32

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
SCHEMBL24952962 0.89 GCK (0.44) GCKSMN1; SMN2ALDH1A1HPGDNPSR1
SCHEMBL24953737 0.89 GCK (0.44) GCKSMN1; SMN2ALDH1A1HPGDNPSR1
SCHEMBL24953827 0.80 GCK (0.45) GCKKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL24952913 0.80 GCK (0.38) GCKSMN1; SMN2ALDH1A1
SCHEMBL24953916 0.80 PSEN1 (0.40) GCK
SCHEMBL24953701 0.78 MMP2 (0.39) GCKLMNA
SCHEMBL24953890 0.78 CCNE1 (0.46) KMT2AMAPTMEN1SMN1; SMN2NPC1
SCHEMBL24954122 0.77 GCK (0.38) GCK
SCHEMBL24954124 0.77 GCK (0.37) GCKKMT2AMAPTMEN1SMN1; SMN2
SCHEMBL24954560 0.77 GCK (0.35) GCKKMT2AMAPTMEN1SMN1; SMN2

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-2025002360-A1 MRGPRX2 ANTAGONIST, PHARMACEUTICAL COMPOSITION AND USE THEREOF 北京普祺医药科技股份有限公司 2025-01-02 — — WO disclosed
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