SCHEMBL8931289

SCHEMBL8931289

CC(O)Cn1ncnc1S

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.35
▸ ADORA1 P30542 2/20 0.35
▸ LMNA P02545 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ CSNK2A1 P68400 3/20 0.32
▸ KDM4E B2RXH2 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
SCHEMBL11845645 0.69 — —
SCHEMBL30868356 0.67 LMNA (0.33) LMNACSNK2A1
SCHEMBL30868389 0.67 LMNA (0.33) LMNACSNK2A1
SCHEMBL10996888 0.65 LMNA (0.32) LMNACSNK2A1
SCHEMBL11836639 0.64 — —
SCHEMBL9227371 0.63 USP2 (0.30) —
SCHEMBL18806993 0.63 MAPK1 (0.49) LMNAMAPK1ATMCSNK2A1KDM4E
SCHEMBL31030362 0.63 MAPK1 (0.49) LMNAMAPK1ATMCSNK2A1KDM4E
SCHEMBL18806998 0.63 MAPK1 (0.36) LMNASMN1; SMN2MAPK1ATMCSNK2A1
SCHEMBL5391855 0.61 LMNA (0.38) ADORA2AADORA1LMNAADORA2BMAPK1

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-0793657-A1 MICROBICIDAL TRIAZOLYL DERIVATIVES BAYER AG (DE) 1997-09-10 — — EP disclosed
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