SCHEMBL4003076

SCHEMBL4003076

NC1CCCN(c2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
ALDH1A1 P00352 3/20 0.55
MAPK1 P28482 1/20 0.55
LMNA P02545 1/20 0.52
SIRT6 Q8N6T7 2/20 0.50
DPP4 P27487 1/20 0.50
POLB P06746 1/20 0.50
ADRB1 P08588 1/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALOX12 P18054 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL4003069 1.00 MAPT (0.61) MAPTALDH1A1MAPK1LMNASIRT6
SCHEMBL6873751 0.91 MAPT (0.56) MAPTALDH1A1MAPK1LMNASIRT6
SCHEMBL2126870 0.91 MAPT (0.56) MAPTALDH1A1MAPK1LMNASIRT6
SCHEMBL1750127 0.84 MAPT (0.58) MAPTALDH1A1LMNASIRT6POLB
SCHEMBL31669360 0.83 MAPT (0.49) MAPTALDH1A1LMNASIRT6POLB
SCHEMBL2018527 0.82 MAPT (0.61) MAPTALDH1A1MAPK1LMNASIRT6
SCHEMBL9983992 0.82 MAPT (0.61) MAPTALDH1A1MAPK1LMNASIRT6
SCHEMBL30135522 0.82 MAPT (0.61) MAPTALDH1A1MAPK1LMNASIRT6
SCHEMBL16651521 0.82 MAPT (0.61) MAPTALDH1A1MAPK1LMNASIRT6
SCHEMBL6610334 0.82 MAPT (0.61) MAPTALDH1A1MAPK1LMNASIRT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110291085-B Mutant isocitrate dehydrogenase inhibitors, compositions and methods thereof 艾科生物科技有限公司 2023-01-24 CN disclosed
WO-2013012827-A1 DIAMINOCYCLOHEXANE COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-24 WO disclosed
EP-1778229-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-06-17 EP disclosed
EP-1778229-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-05-02 EP disclosed
WO-2006020598-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-23 WO disclosed