SCHEMBL25948520

SCHEMBL25948520

CCOC(=O)c1c(CNC=N)n(C)c2ncc(OC)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ GAA P10253 2/20 0.39
▸ HPGD P15428 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ MTNR1A P48039 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ P4HB P07237 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ RAD52 P43351 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 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
SCHEMBL25949325 0.86 PDE4B (0.37) MAPTSMN1; SMN2GAAKDM4EALDH1A1
SCHEMBL25938395 0.86 SMN1; SMN2 (0.40) MAPTSMN1; SMN2GAAHPGDKDM4E
SCHEMBL25940711 0.83 ALOX5 (0.44) MAPTSMN1; SMN2GAAHPGDKDM4E
SCHEMBL25940696 0.80 SMN1; SMN2 (0.53) MAPTSMN1; SMN2GAAHPGDKDM4E
SCHEMBL26184766 0.78 SMN1; SMN2 (0.39) MAPTSMN1; SMN2GAAHPGDKDM4E
SCHEMBL25941254 0.77 SMN1; SMN2 (0.38) MAPTSMN1; SMN2GAAHPGDKDM4E
SCHEMBL25941248 0.74 SMN1; SMN2 (0.40) MAPTSMN1; SMN2GAAHPGDKDM4E
SCHEMBL25948787 0.74 MTNR1A (0.43) SMN1; SMN2HPGDKDM4EPDE4BPOLB
SCHEMBL25938744 0.73 MTNR1A (0.43) SMN1; SMN2KDM4EPDE4BPOLBMTNR1A
SCHEMBL25949367 0.73 KDM4E (0.53) SMN1; SMN2GAAHPGDKDM4EALDH1A1

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
EP-4209492-A1 COMPOUND FOR TREATING THROMBOTIC DISEASES Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2023-07-12 — — EP disclosed
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