SCHEMBL7229835

SCHEMBL7229835

COc1ccnc(-c2ccc(F)c([N+](=O)[O-])c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.49
CCR5 P51681 1/20 0.49
CCR8 P51685 1/20 0.49
MAPT P10636 4/20 0.43
HTT P42858 3/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 5/20 0.42
HIF1A Q16665 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.41
VCAM1 P19320 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
PTGES O14684 2/20 0.38
GAA P10253 1/20 0.38
EIF4E P06730 1/20 0.38

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
SCHEMBL7228606 0.85 CCR1 (0.50) CCR1CCR5CCR8MAPTHTT
SCHEMBL7230041 0.84 MAPT (0.50) CCR1CCR5CCR8MAPTLMNA
SCHEMBL7850225 0.84 MAPT (0.54) CCR1CCR5CCR8MAPTHTT
SCHEMBL7229673 0.82 ERN1 (0.46) CCR1CCR5CCR8MAPTHTT
SCHEMBL7230482 0.82 CCR1 (0.46) CCR1CCR5CCR8MAPTHTT
SCHEMBL7239541 0.79 MAPT (0.53) CCR1CCR5CCR8MAPTLMNA
SCHEMBL4407574 0.79 ALDH1A1 (0.50) MAPTHTTLMNAALDH1A1HIF1A
SCHEMBL7229325 0.78 MAPT (0.44) CCR1CCR5CCR8MAPTLMNA
SCHEMBL3192746 0.78 ALDH1A1 (0.56) MAPTHTTALDH1A1HIF1AVCAM1
SCHEMBL29744326 0.78 ALDH1A1 (0.56) MAPTHTTALDH1A1HIF1AVCAM1

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