SCHEMBL2711607

SCHEMBL2711607

COc1cc(C(=O)c2nc(-c3cccn3C(=O)O)c3ccccn23)ccc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 7/20 0.37
▸ CFTR P13569 1/20 0.37
▸ MARK4 Q96L34 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ RPS6KA3 P51812 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ HTT P42858 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ TUBB4A P04350 1/20 0.35
▸ TUBB P07437 1/20 0.35
▸ TUBA3C P0DPH7 1/20 0.35

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
SCHEMBL1930925 0.89 HSP90AA1 (0.37) RORCCFTRMARK4ALDH1A1MAPK1
SCHEMBL1930756 0.83 RORC (0.45) RORCMARK4ALDH1A1MAPK1LMNA
SCHEMBL1932041 0.81 RORC (0.41) RORCALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL1931663 0.81 MAPK1 (0.43) ALDH1A1MAPK1LMNAKMT2ACYP3A4
SCHEMBL1931559 0.81 ALDH1A1 (0.40) CFTRALDH1A1MAPK1LMNAKMT2A
Hydrochloric Acid SCHEMBL1931669 0.81 MAPK1 (0.42) ALDH1A1MAPK1LMNAKMT2ACYP3A4
SCHEMBL1931390 0.80 ALDH1A1 (0.40) CFTRALDH1A1MAPK1LMNAKMT2A
SCHEMBL1930915 0.79 ALDH1A1 (0.41) CFTRALDH1A1MAPK1LMNAKMT2A
SCHEMBL1930678 0.78 ALDH1A1 (0.40) ALDH1A1MAPK1LMNAKMT2ACYP3A4
SCHEMBL1931173 0.77 ALDH1A1 (0.39) CFTRALDH1A1MAPK1LMNAKMT2A

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-1861403-B1 NOVEL IMIDAZO[1,5-A]PYRIDINE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI SA (FR) 2012-05-02 — — EP disclosed
EP-1861403-A1 NOVEL IMIDAZO[1,5-A]PYRIDINE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Sanofi-Aventis (FR) 2007-12-05 — — EP disclosed
WO-2006097625-A1 NOVEL IMIDAZO[1,5-A]PYRIDINE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-AVENTIS (FR) 2006-09-21 — — WO disclosed
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