SCHEMBL11720739

SCHEMBL11720739

CCOCCN(CC)C(=O)c1cncc([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.39
▸ MAPT P10636 4/20 0.38
▸ HPGD P15428 3/20 0.38
▸ LMNA P02545 1/20 0.38
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MLYCD O95822 2/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ POLB P06746 1/20 0.34

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
SCHEMBL11728283 0.86 ALDH1A1 (0.46) ALDH1A1MAPTHPGDLMNAOPRM1
SCHEMBL11722479 0.79 MAPT (0.39) ALDH1A1MAPTHPGDLMNAKMT2A
SCHEMBL11723606 0.77 GAA (0.41) ALDH1A1MAPTHPGDATML3MBTL1
SCHEMBL11720524 0.76 MAPT (0.48) ALDH1A1MAPTHPGDLMNAATM
SCHEMBL11724515 0.73 KMT2A (0.50) ALDH1A1MAPTHPGDLMNAATM
SCHEMBL29083934 0.72 NPC1 (0.61) ALDH1A1MAPTHPGDLMNANPC1
SCHEMBL29960870 0.72 NPC1 (0.61) ALDH1A1MAPTHPGDLMNANPC1
SCHEMBL11640107 0.71 VCAM1 (0.41) ALDH1A1MAPTLMNANPC1KMT2A
SCHEMBL1522089 0.70 CYP3A4 (0.52) ALDH1A1MAPTHPGDLMNAOPRM1
SCHEMBL29999860 0.69 NPC1 (0.46) ALDH1A1MAPTHPGDNPC1GAA

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
US-4053608-A 3-NITROPYRIDINE CARBOXAMIDES, POULTRY FEED SANKYO COMPANY LIMITED (JA) 1977-10-11 — — US disclosed
Send feedback