SCHEMBL14123129

SCHEMBL14123129

O=c1[nH]c(=O)n(CN2CCOCC2)c(=O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 3/20 0.46
▸ DAO P14920 1/20 0.45
▸ GAA P10253 2/20 0.41
▸ NOS3 P29474 1/20 0.40
▸ NOS1 P29475 1/20 0.40
▸ NOS2 P35228 1/20 0.40
▸ TP53 P04637 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ ALDH3A1 P30838 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TSHR P16473 1/20 0.37

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
SCHEMBL14123249 0.82 ALOX15 (0.43) TYMPNOS3NOS1NOS2MAPT
SCHEMBL536772 0.68 USP2 (0.50) GAATP53MAPTMAPK1HTT
SCHEMBL14123251 0.67 TYMP (0.55) TYMPDAOGAAMAPTALDH1A1
SCHEMBL13847837 0.64 TYMP (0.49) TYMPDAOGAAMAPTALDH1A1
SCHEMBL17160569 0.64 GAA (0.40) TYMPDAOGAANOS3NOS1
SCHEMBL8080929 0.64 ALDH1A1 (0.43) TYMPDAOGAANOS3NOS1
SCHEMBL28365598 0.64 ALDH1A1 (0.54) GAANOS3NOS1NOS2TP53
SCHEMBL3173524 0.63 ALDH1A1 (0.39) GAANOS3NOS1NOS2TP53
SCHEMBL17160567 0.63 GAA (0.42) TYMPDAOGAANOS3NOS1
SCHEMBL5608494 0.63 SMN1; SMN2 (0.41) TYMPDAOGAANOS3NOS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080160445-A1 Planographic printing plate material, and method of preparing planographic printing plate employing the same KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2008-07-03 — — US disclosed
US-20080160445-A1 Planographic printing plate material, and method of preparing planographic printing plate employing the same KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2008-07-03 — — US disclosed
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