SCHEMBL31144888

SCHEMBL31144888

CCOC(=O)c1c(Cl)nc(SC)n1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.43
▸ LMNA P02545 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ F2 P00734 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ GABRA2 P47869 1/20 0.36
▸ GABRB2 P47870 1/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36

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
SCHEMBL9274780 0.83 KMT2A (0.44) KMT2ALMNAUSP2MAPK1SMN1; SMN2
SCHEMBL6470073 0.83 HPGD (0.35) KMT2AMAPK1SMN1; SMN2F2MAPT
SCHEMBL9296714 0.82 LMNA (0.48) KMT2ALMNAUSP2POLBMAPK1
SCHEMBL31144941 0.79 GLP1R (0.41) KMT2ALMNAMAPK1SMN1; SMN2MAPT
SCHEMBL31144879 0.76 MAPK1 (0.45) KMT2ALMNAUSP2POLBMAPK1
SCHEMBL9296297 0.74 LMNA (0.41) KMT2ALMNAUSP2POLBMAPK1
SCHEMBL9277231 0.72 KMT2A (0.39) KMT2ALMNAMAPK1SMN1; SMN2CYP1A2
SCHEMBL10004533 0.71 MAPT (0.40) KMT2ALMNAPOLBMAPK1SMN1; SMN2
SCHEMBL537829 0.69 MAPT (0.48) KMT2ALMNAPOLBMAPK1SMN1; SMN2
SCHEMBL6095048 0.69 HPGD (0.41) KMT2ALMNAPOLBMAPK1SMN1; 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-2024175804-A1 NUCLEAR TRANSPORT MODULATORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-08-29 — — WO disclosed
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