SCHEMBL7230482

SCHEMBL7230482

CNc1ccc(-c2cc(OC)ccn2)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.46
CCR5 P51681 1/20 0.46
CCR8 P51685 1/20 0.46
MAPT P10636 4/20 0.45
NPC1 O15118 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
RAB9A P51151 4/20 0.44
MAPK1 P28482 2/20 0.44
ABCB1 P08183 1/20 0.43
HCAR3 P49019 1/20 0.43
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
AKR1B10 O60218 1/20 0.41
AKR1B1 P15121 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C1 Q04828 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL7239541 0.87 MAPT (0.53) CCR1CCR5CCR8MAPTNPC1
SCHEMBL7229325 0.86 MAPT (0.44) CCR1CCR5CCR8MAPTNPC1
SCHEMBL7237054 0.85 AKR1C3 (0.55) MAPTNPC1SMN1; SMN2RAB9AMAPK1
SCHEMBL7228606 0.83 CCR1 (0.50) CCR1CCR5CCR8MAPTNPC1
SCHEMBL7229835 0.82 CCR1 (0.49) CCR1CCR5CCR8MAPTNPC1
SCHEMBL7230041 0.82 MAPT (0.50) CCR1CCR5CCR8MAPTSMN1; SMN2
SCHEMBL7850225 0.82 MAPT (0.54) CCR1CCR5CCR8MAPTNPC1
SCHEMBL7229673 0.80 ERN1 (0.46) CCR1CCR5CCR8MAPTNPC1
SCHEMBL430629 0.79 MAPT (0.59) MAPTNPC1SMN1; SMN2RAB9AMAPK1
SCHEMBL12323605 0.79 TP53 (0.42) MAPTNPC1SMN1; SMN2RAB9AMAPK1

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
US-6521643-B1 Prevention and/or treatment of nitric oxide synthasey medi-ated diseases such as adult respiratory distress syndrome, myocarditis, synovitis, septic shock, diabetes, ulcerative colitis, cerebral infarction, osteoarthritis FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-02-18 US disclosed
EP-1157022-A1 PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-28 EP disclosed
WO-2000049015-A1 PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-24 WO disclosed