SCHEMBL11202002

SCHEMBL11202002

Cc1cncc(C)c1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
ACHE P22303 1/20 0.51
MAPT P10636 4/20 0.51
ALDH1A1 P00352 4/20 0.51
TDP1 Q9NUW8 2/20 0.51
THRB P10828 1/20 0.51
LMNA P02545 2/20 0.50
IDO1 P14902 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP1A2 P05177 1/20 0.47
PKM P14618 2/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 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
SCHEMBL16435341 0.86 TSHR (0.58) TSHRACHEMAPTALDH1A1TDP1
SCHEMBL11200693 0.77 ALDH1A1 (0.52) TSHRACHEMAPTALDH1A1TDP1
SCHEMBL11882150 0.77 TDP1 (0.63) TSHRMAPTALDH1A1TDP1LMNA
SCHEMBL11889464 0.77 TDP1 (0.63) TSHRMAPTALDH1A1TDP1LMNA
SCHEMBL6738366 0.76 TSHR (0.76) TSHRACHEMAPTALDH1A1TDP1
SCHEMBL5418627 0.76 ALDH1A1 (0.58) TSHRACHEMAPTALDH1A1TDP1
SCHEMBL10840844 0.75 TSHR (0.61) TSHRACHEMAPTALDH1A1TDP1
SCHEMBL7905747 0.75 LMNA (0.55) TSHRMAPTALDH1A1TDP1LMNA
SCHEMBL11392461 0.74 TSHR (0.73) TSHRACHEMAPTALDH1A1TDP1
SCHEMBL11392466 0.74 TSHR (0.73) TSHRACHEMAPTALDH1A1TDP1

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
EP-0088938-A1 Use of pyridine compounds for the manufacture of medicaments with an antihypoxemia and ischemia-protective activity BAYER AG (DE) 1983-09-21 EP disclosed
EP-0088940-A1 Pyridine-carboxylic-acid esters, process for their preparation and their use as pharmaceutical compositions BAYER AG (DE) 1983-09-21 EP disclosed