SCHEMBL7367593

SCHEMBL7367593

CC(=O)Nc1ccc(/C=C/c2cccc([N+](=O)[O-])c2)cn1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
GAA P10253 2/20 0.60
CYP1A2 P05177 1/20 0.60
NPC1 O15118 3/20 0.56
ALDH1A1 P00352 3/20 0.56
CYP19A1 P11511 1/20 0.53
NFE2L2 Q16236 3/20 0.53
GCK P35557 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 1/20 0.50
SNCA P37840 1/20 0.49
GLO1 Q04760 1/20 0.49
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL7367594 1.00 RAB9A (0.61) RAB9AMEN1KMT2AGAACYP1A2
SCHEMBL9376091 0.86 CYP1A2 (0.72) RAB9AMEN1KMT2AGAACYP1A2
SCHEMBL9376095 0.86 CYP1A2 (0.72) RAB9AMEN1KMT2AGAACYP1A2
SCHEMBL7491966 0.80 ALDH1A1 (0.47) GAACYP1A2NPC1ALDH1A1CYP19A1
SCHEMBL7491959 0.80 ALDH1A1 (0.47) GAACYP1A2NPC1ALDH1A1CYP19A1
SCHEMBL7367425 0.78 MAPT (0.46) RAB9AMEN1KMT2AGAACYP1A2
SCHEMBL7367418 0.78 MAPT (0.46) RAB9AMEN1KMT2AGAACYP1A2
SCHEMBL9648715 0.78 CYP1A2 (0.58) MEN1KMT2AGAACYP1A2ALDH1A1
SCHEMBL9648701 0.78 CYP1A2 (0.58) MEN1KMT2AGAACYP1A2ALDH1A1
SCHEMBL4733272 0.76 KMT2A (0.73) RAB9AMEN1KMT2AGAACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0874845-B1 PYRIDO (2,3-B) PYRAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2002-03-06 EP disclosed
US-6117875-A Pyrido (2,3-B) pyrazine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-09-12 US disclosed
EP-0874845-A1 PYRIDO (2,3-B) PYRAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-04 EP disclosed
WO-1997024355-A1 PYRIDO (2,3-B) PYRAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-10 WO disclosed