SCHEMBL14529499

SCHEMBL14529499

COc1ccc(-n2nc(N3CCC(F)(F)CC3)cc2-c2cc[nH]c2)nn1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.33
▸ CNR2 P34972 1/20 0.32
▸ LCAT P04180 1/20 0.32
▸ WHR1 P49842 2/20 0.31
▸ RIPK1 Q13546 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ LRRK2 Q5S007 2/20 0.31
▸ CACNB4 O00305 1/20 0.30
▸ CACNA1A O00555 1/20 0.30
▸ CACNA1G O43497 1/20 0.30
▸ CACNG3 O60359 1/20 0.30
▸ CACNA1F O60840 1/20 0.30
▸ CACNA1H O95180 1/20 0.30
▸ CACNB3 P54284 1/20 0.30
▸ CACNA2D1 P54289 1/20 0.30
▸ CACNG7 P62955 1/20 0.30
▸ CACNA1B Q00975 1/20 0.30
▸ CACNA1D Q01668 1/20 0.30
▸ CACNB1 Q02641 1/20 0.30
▸ CACNG1 Q06432 1/20 0.30

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
SCHEMBL5265663 0.82 CHRNA7 (0.39) ALOX5
SCHEMBL14529228 0.74 MAP4K4 (0.34) LRRK2
SCHEMBL14529426 0.73 ALOX5 (0.32) ALOX5
SCHEMBL5267517 0.73 RPA1 (0.46) —
SCHEMBL5269617 0.71 MGLL (0.48) ALOX5
SCHEMBL5268500 0.70 PTGS2 (0.48) —
SCHEMBL5269952 0.69 MGLL (0.39) ALOX5HRH3
SCHEMBL5269315 0.68 CHRNA7 (0.38) ALOX5LRRK2
SCHEMBL5269005 0.66 GABRA1 (0.51) ALOX5
SCHEMBL13212925 0.65 CNR2 (0.43) CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 — — EP disclosed
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