SCHEMBL7230262

SCHEMBL7230262

Nc1cccc(-c2ncccc2C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.50
TRPV1 Q8NER1 10/20 0.47
SCN5A Q14524 7/20 0.47
SCN9A Q15858 7/20 0.47
KCNA5 P22460 1/20 0.45
KCNH2 Q12809 1/20 0.45
MEN1 O00255 1/20 0.45
PSIP1 O75475 1/20 0.45
AXL P30530 1/20 0.45
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45

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
SCHEMBL18356535 0.81 SCN5A (0.50) TRPV1SCN5ASCN9AKCNA5KCNH2
SCHEMBL5918308 0.81 TRPV1 (0.47) TRPV1SCN5ASCN9A
SCHEMBL11272722 0.79 CETP (0.54) TRPV1SCN5ASCN9A
SCHEMBL20983702 0.79 TRPV1 (0.60) TRPV1SCN5ASCN9A
SCHEMBL2716198 0.78 MAP4K4 (0.54) MAP4K4SCN5ASCN9AMEN1PSIP1
SCHEMBL30430026 0.78 MAP4K4 (0.54) MAP4K4SCN5ASCN9AMEN1PSIP1
SCHEMBL27339880 0.78 MAP4K4 (0.58) MAP4K4MEN1PSIP1AXLMKNK1
SCHEMBL5189333 0.77 SCN5A (0.48) TRPV1SCN5ASCN9A
SCHEMBL15624412 0.76 TRPV1 (0.47) TRPV1
SCHEMBL7088823 0.76 TSHR (0.44) MAP4K4TRPV1SCN5ASCN9AMEN1

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
CN-1953979-A Substituted 5, 12-diaza-benzoanthracene analogues NEUROGEN CORP (US) 2007-04-25 CN disclosed
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