SCHEMBL7378301

SCHEMBL7378301

O=C(Nc1ccccc1-c1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.74
▸ KMT2A Q03164 4/20 0.74
▸ MEN1 O00255 3/20 0.74
▸ NPC1 O15118 2/20 0.68
▸ MAPT P10636 2/20 0.65
▸ ABCG2 Q9UNQ0 2/20 0.62
▸ ERO1A Q96HE7 1/20 0.60
▸ POLB P06746 3/20 0.60
▸ MITF O75030 1/20 0.60
▸ RAB9A P51151 1/20 0.60
▸ SNCA P37840 1/20 0.57
▸ CASP3 P42574 1/20 0.57
▸ MYC P01106 1/20 0.55
▸ MAX P61244 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL8337442 0.91 NPC1 (0.80) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL23673663 0.84 NPC1 (0.73) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL17289272 0.84 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL17796945 0.84 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL12470503 0.83 ALDH1A1 (0.66) ALDH1A1KMT2AMEN1MAPTABCG2
SCHEMBL29434803 0.83 ALDH1A1 (0.66) ALDH1A1KMT2AMEN1MAPTABCG2
Ammonia Solution, Strong SCHEMBL29194251 0.81 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1MAPTABCG2
SCHEMBL8337049 0.81 MEN1 (0.68) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL1309081 0.81 SMN1; SMN2 (0.70) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL6958604 0.81 PHGDH (0.76) ALDH1A1KMT2AMEN1NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016115360-A1 C-MYC LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2016-07-21 — — WO disclosed
US-6211242-B1 CARDIOVASCULAR DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-03 — — US disclosed
EP-0757670-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 1999-01-13 — — EP disclosed
EP-0757670-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 — — EP disclosed
WO-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 — — WO disclosed
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