SCHEMBL11170232

SCHEMBL11170232

O=C(O)c1cc(-c2cccc([N+](=O)[O-])c2)c[nH]c1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ MAPT P10636 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ TP53 P04637 1/20 0.48
▸ GSK3A P49840 2/20 0.46
▸ GSK3B P49841 2/20 0.46
▸ TRPM2 O94759 1/20 0.45
▸ CSNK2A1 P68400 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ KEAP1 Q14145 1/20 0.45
▸ NFE2L2 Q16236 1/20 0.45
▸ GUSB P08236 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ELANE P08246 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ PGR P06401 2/20 0.44
▸ IDO1 P14902 1/20 0.44
▸ EIF4E P06730 1/20 0.43

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
SCHEMBL10992087 0.88 CDC7 (0.50) TDP1SMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL11165462 0.85 ALDH1A1 (0.45) TDP1SMN1; SMN2MAPTALDH1A1TP53
SCHEMBL396923 0.79 AURKA (0.58) MAPTALDH1A1
SCHEMBL30048131 0.79 SMN1; SMN2 (0.70) TDP1SMN1; SMN2MAPTALDH1A1CSNK2A1
SCHEMBL10996778 0.79 MAPT (0.59) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL11166619 0.77 AKR1C2 (0.54) MAPT
SCHEMBL11160923 0.77 DYRK1A (0.58) MAPTGSK3AGSK3BNPC1RAB9A
SCHEMBL11162642 0.77 DCLRE1B (0.50) MAPTTRPM2
SCHEMBL5688033 0.77 MAPT (0.43) TDP1SMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL7275462 0.76 TP53 (0.80) TDP1SMN1; SMN2MAPTALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0017438-B1 SUBSTITUTED 3-ALKYL-6-PHENYL-1,2,4-TRIAZOLO(4,3-A)PYRIDINES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMERICAN CYANAMID COMPANY (US) 1983-03-02 — — EP disclosed
US-4242515-A Substituted 3-alkyl-6-phenyl-1,2,4-triazolo-[4,3-a]pyridines AMERICAN CYANAMID COMPANY (US) 1980-12-30 — — US disclosed
US-4209626-A Substituted 6-phenyl-1,2,4-triazolo[4,3-a]pyridines AMERICAN CYANAMID COMPANY (US) 1980-06-24 — — US disclosed
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