SCHEMBL7158133

SCHEMBL7158133

CN(C)c1ccc(NNc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.64
▸ L3MBTL1 Q9Y468 4/20 0.64
▸ CYP1A2 P05177 1/20 0.64
▸ CYP3A4 P08684 1/20 0.64
▸ TSHR P16473 1/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ PHLPP2 Q6ZVD8 1/20 0.64
▸ TDP1 Q9NUW8 1/20 0.64
▸ RAB9A P51151 3/20 0.59
▸ MEN1 O00255 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ NPC1 O15118 2/20 0.59
▸ ALDH1A1 P00352 4/20 0.55
▸ RECQL P46063 2/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ BAZ1A Q9NRL2 1/20 0.52
▸ MCL1 Q07820 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ GAA P10253 2/20 0.51
▸ PTGES O14684 1/20 0.50

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
SCHEMBL11726706 0.89 RAB9A (0.68) MAPTL3MBTL1CYP1A2CYP3A4TSHR
SCHEMBL218018 0.88 MAPT (0.78) MAPTL3MBTL1CYP1A2CYP3A4TSHR
Hydrogen Sulfide SCHEMBL28326954 0.86 MAPT (0.75) MAPTL3MBTL1CYP1A2CYP3A4TSHR
Phosphine SCHEMBL30201038 0.86 MAPT (0.75) MAPTL3MBTL1CYP1A2CYP3A4TSHR
Ammonia Solution, Strong SCHEMBL29558993 0.86 MAPT (0.75) MAPTL3MBTL1CYP1A2CYP3A4TSHR
Iodide SCHEMBL10484653 0.84 MAPT (0.72) MAPTL3MBTL1CYP1A2CYP3A4TSHR
SCHEMBL16986581 0.84 ALDH1A1 (0.67) MAPTL3MBTL1TDP1MEN1KMT2A
SCHEMBL6296057 0.83 BAZ1A (0.74) MAPTL3MBTL1CYP1A2CYP3A4TSHR
SCHEMBL9948773 0.82 MAPT (0.70) MAPTL3MBTL1CYP1A2CYP3A4TSHR
SCHEMBL5528929 0.82 MAPT (0.70) MAPTL3MBTL1CYP1A2CYP3A4TSHR

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-1366018-A1 OMEGA-AMINOALKYLAMIDES OF R-2-ARYL-PROPIONIC ACIDS AS INHIBITORS OF THE CHEMOTAXIS OF POLYMORPHONUCLEATE AND MONONUCLEATE CELLS Dompé S.P.A. (IT) 2003-12-03 — — EP disclosed
WO-2002068377-A1 OMEGA-AMINOALKYLAMIDES OF R-2-ARYL-PROPIONIC ACIDS AS INHIBITORS OF THE CHEMOTAXIS OF POLYMORPHONUCLEATE AND MONONUCLEATE CELLS Dompé S.p.A. (IT) 2002-09-06 — — WO disclosed
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