SCHEMBL11727612

SCHEMBL11727612

CCCCNC(=O)c1cncc([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.50
▸ POLB P06746 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ HDAC3 O15379 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ PKM P14618 2/20 0.47
▸ MGLL Q99685 1/20 0.47
▸ HPGD P15428 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ NAAA Q02083 1/20 0.46
▸ LMNA P02545 1/20 0.46

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
SCHEMBL31226521 0.86 GAA (0.50) POLBMAPTGAASMN1; SMN2ATM
SCHEMBL11723199 0.85 MAPT (0.50) KDM4EPOLBMAPTGAASMN1; SMN2
SCHEMBL5506840 0.84 PKM (0.63) POLBMAPTGAAALOX12SMN1; SMN2
SCHEMBL11720524 0.83 MAPT (0.48) KDM4EMAPTGAASMN1; SMN2ATM
SCHEMBL11724159 0.81 THRB (0.47) KDM4EPOLBMAPTGAASMN1; SMN2
SCHEMBL11720670 0.81 ALDH1A1 (0.54) KDM4EMAPTGAAALOX12SMN1; SMN2
SCHEMBL5507075 0.80 ALDH1A1 (0.70) POLBGAAALOX12SMN1; SMN2HDAC3
SCHEMBL9734781 0.79 PKM (0.64) MAPTGAAALOX12HDAC3HDAC1
SCHEMBL9733961 0.79 PKM (0.64) MAPTGAAALOX12HDAC3HDAC1
SCHEMBL9169640 0.79 PKM (0.60) MAPTGAAALOX12SMN1; SMN2HDAC3

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
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