SCHEMBL8034728

SCHEMBL8034728

Cc1nccn1-c1ccc(Sc2cccc(C3(C#N)CC4CCC(C3)O4)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 9/20 0.69
ALDH1A1 P00352 1/20 0.32
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2E1 P05181 1/20 0.31
CYP2A6 P11509 1/20 0.31
ICMT O60725 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL6571511 0.84 ALOX5 (0.68) ALOX5ALDH1A1MGAMGAASI
SCHEMBL8166281 0.83 ALOX5 (0.55) ALOX5ALDH1A1MGAMGAASI
SCHEMBL7802711 0.83 ALOX5 (0.55) ALOX5ALDH1A1MGAMGAASI
SCHEMBL8172193 0.83 ALOX5 (0.55) ALOX5ALDH1A1MGAMGAASI
SCHEMBL8025100 0.82 ALOX5 (1.00) ALOX5ALDH1A1MGAMGAASI
SCHEMBL8116955 0.77 ALOX5 (0.60) ALOX5ALDH1A1MGAMGAASI
SCHEMBL8116953 0.77 ALOX5 (0.60) ALOX5ALDH1A1MGAMGAASI
SCHEMBL7807425 0.71 ALOX5 (0.54) ALOX5ALDH1A1MGAMGAASI
SCHEMBL7809205 0.70 ALOX5 (0.75) ALOX5ALDH1A1MGAMGAASI
SCHEMBL7811067 0.70 ALOX5 (0.70) ALOX5ALDH1A1MGAMGAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863905-B1 IMIDAZOLE LIPOXYGENASE INHIBITORS PFIZER (US) 2000-11-29 EP claimed
US-6037355-A ANTIINFLAMMATORY AGENTS AND ANTIALLERGENS; CARDIOVASCULAR DISORDERS PFIZER INC (US) 2000-03-14 US claimed
EP-0863905-B1 IMIDAZOLE LIPOXYGENASE INHIBITORS PFIZER (US) 2000-11-29 EP disclosed
US-6037355-A ANTIINFLAMMATORY AGENTS AND ANTIALLERGENS; CARDIOVASCULAR DISORDERS PFIZER INC (US) 2000-03-14 US disclosed
EP-0863905-A1 NOVEL IMIDAZOLE LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1998-09-16 EP disclosed
WO-1997011079-A1 NOVEL IMIDAZOLE LIPOXYGENASE INHIBITORS PFIZER PHARMACEUTICALS INC. (JP) 1997-03-27 WO disclosed