SCHEMBL7370252

SCHEMBL7370252

COc1cc(NC(C)=O)ccc1-c1nc(-c2cccnc2)c(C)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
AAK1 Q2M2I8 1/20 0.51
NPY5R Q15761 3/20 0.49
ATR Q13535 1/20 0.48
HPSE Q9Y251 1/20 0.47
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
EGFR P00533 1/20 0.45
FGFR1 P11362 1/20 0.45
KDR P35968 1/20 0.45
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
ABL1 P00519 1/20 0.44

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
SCHEMBL7370856 0.84 NPY5R (0.47) ALDH1A1HPGDHSD17B10NPY5RATR
SCHEMBL7370913 0.81 NPY5R (0.57) ALDH1A1HPGDHSD17B10CYP11B1CYP11B2
SCHEMBL7372225 0.80 NPY5R (0.62) CYP11B1CYP11B2NPY5RMKNK1MKNK2
SCHEMBL7369602 0.80 NPY5R (0.56) CYP11B1CYP11B2NPY5RMKNK1MKNK2
SCHEMBL7371445 0.79 NPY5R (0.67) ALDH1A1NPY5RMEN1KMT2APDGFRB
SCHEMBL7377111 0.79 NPY5R (0.54) CYP11B1CYP11B2NPY5RMKNK1MKNK2
SCHEMBL23758267 0.77 SMPD3 (0.48) ALDH1A1HPGDHSD17B10KDRMEN1
SCHEMBL7367135 0.77 CYP11B1 (0.52) ALDH1A1HPGDHSD17B10CYP11B1CYP11B2
SCHEMBL7370879 0.76 NPY5R (0.59) CYP11B1CYP11B2NPY5RMKNK1MKNK2
SCHEMBL7365692 0.75 NPY5R (0.57) ALDH1A1HPGDHSD17B10CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4822805-A ANTIINFLAMMATORY AGENTS, CARDIOTONIC AGENTS, ANTIPLATELET AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-04-18 US disclosed
EP-0257897-A1 Imidazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-03-02 EP disclosed