SCHEMBL8694865

SCHEMBL8694865

COc1cc(-n2ccnc2C)ccc1CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP19A1 P11511 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ICMT O60725 3/20 0.45
FGFR1 P11362 1/20 0.42
SRC P12931 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
ADH5 P11766 1/20 0.41
HTR1A P08908 1/20 0.41
HTR2C P28335 1/20 0.41
CYP2E1 P05181 1/20 0.41
CYP2A6 P11509 1/20 0.41
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
PDE4A P27815 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
SCHEMBL8696264 0.82 CYP3A4 (0.47) CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL10902395 0.82 ICMT (0.53) CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL1912040 0.81 CYP3A4 (0.48) CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL8694730 0.80 CYP3A4 (0.44) CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL8694716 0.80 ADH5 (0.44) CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL5381277 0.78 ICMT (0.47) CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL8694727 0.78 CYP3A4 (0.43) CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL9702140 0.77 ADH5 (0.48) CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL10902066 0.75 TUBB4A (0.49) CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL10903913 0.74 TUBB4A (0.52) CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9

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
US-5753682-A Imidazole lipoxygenase inhibitors PFIZER INC. (US) 1998-05-19 US disclosed
EP-0703913-B1 IMIDAZOLES AS LIPOXYGENASE INHIBITORS PFIZER (US) 1997-06-11 EP disclosed
EP-0703913-A1 IMIDAZOLE LIPOXYGENASE INHIBITORS PFIZER (US) 1996-04-03 EP disclosed
WO-1994029299-A1 IMIDAZOLE LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1994-12-22 WO disclosed