SCHEMBL2727252

SCHEMBL2727252

CN(C)c1nc2c(c(=O)[nH]1)NCCN2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ NOS1 P29475 3/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ MAT2A P31153 1/20 0.33
▸ NOS3 P29474 1/20 0.30
▸ NOS2 P35228 1/20 0.30
▸ SGK1 O00141 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ GMNN O75496 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ CSNK2A2 P19784 1/20 0.30
▸ NFKB1 P19838 1/20 0.30
▸ CCNA2 P20248 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL12102081 0.76 ALDH1A1 (0.38) KDM4EALDH1A1HPGDNOS1NOS3
SCHEMBL29016448 0.75 TYMS (0.37) NOS1NOS3NOS2CSNK2A2CSNK2B
SCHEMBL3454164 0.72 NOS1 (0.53) LMNAKDM4EALDH1A1HPGDNOS1
SCHEMBL26018101 0.72 NOS1 (0.32) KDM4EALDH1A1HPGDNOS1MAPT
SCHEMBL29501873 0.71 NOS1 (0.30) NOS1NOS3NOS2
SCHEMBL31561468 0.66 CASP7 (0.34) LMNAKDM4EALDH1A1HPGDNOS1
SCHEMBL11683196 0.62 ALDH1A1 (0.42) LMNAKDM4EALDH1A1HPGDPIK3CB
SCHEMBL11177056 0.61 NUDT1 (0.40) LMNAKDM4EALDH1A1HPGDNOS1
SCHEMBL3781351 0.58 — —
SCHEMBL31556103 0.58 ALDH1A1 (0.50) LMNAKDM4EALDH1A1HPGDNOS1

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-2012058293-A1 METHODS OF SACCHARIFYING SUGARCANE TRASH NOVOZYMES NORTH AMERICA, INC. (US) 2012-05-03 — — WO disclosed
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