SCHEMBL9378706

SCHEMBL9378706

CC(C)C1C(=O)N(c2ccccc2)N=C1Cn1ccnc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.43
CYP11B2 P19099 7/20 0.43
CYP19A1 P11511 7/20 0.43
TBXAS1 P24557 3/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
QPCT Q16769 1/20 0.43
CYP4Z1 Q86W10 1/20 0.43
QPCTL Q9NXS2 1/20 0.43
CES2 O00748 4/20 0.41
CYP17A1 P05093 1/20 0.40
LOX P28300 1/20 0.38
LOXL3 P58215 1/20 0.38
LOXL4 Q96JB6 1/20 0.38
LOXL2 Q9Y4K0 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
SCHEMBL9383432 0.91 CYP19A1 (0.48) CYP11B1CYP11B2CYP19A1TBXAS1QPCT
SCHEMBL9379737 0.88 CYP11B1 (0.47) CYP11B1CYP11B2CYP19A1CYP3A4CYP2D6
SCHEMBL9378248 0.84 LOX (0.50) CYP11B1CYP11B2CYP19A1TBXAS1CYP1A2
SCHEMBL9378296 0.82 CES2 (0.55) CYP11B1CYP11B2CYP19A1TBXAS1CYP1A2
SCHEMBL9380107 0.78 CES2 (0.46) CYP11B1CYP11B2CYP19A1TBXAS1CYP1A2
SCHEMBL9378264 0.74 CYP19A1 (0.51) CYP11B1CYP11B2CYP19A1QPCTLOX
SCHEMBL9378886 0.72 CYP19A1 (0.50) CYP11B1CYP11B2CYP19A1TBXAS1CYP1A2
SCHEMBL9378673 0.72 CYP19A1 (0.49) CYP11B1CYP11B2CYP19A1QPCTCES2
SCHEMBL9383847 0.71 CYP11B1 (0.45) CYP11B1CYP11B2CYP19A1TBXAS1CYP1A2
SCHEMBL9383526 0.71 CYP19A1 (0.48) CYP11B1CYP11B2CYP19A1CES2CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0269030-B1 Lipid-peroxide formation inhibiting composition and novel compounds useful therefor MITSUBISHI CHEM IND (JP) 1994-05-04 EP disclosed
US-5089515-A Antiischemic agents; pyrazolone compounds MITSUBISHI KASEI CORPORATION (JP) 1992-02-18 US disclosed
US-4990619-A Cardiovascular disorders, antiischemic agents MITSUBISHI KASEI CORPORATION (JP) 1991-02-05 US disclosed
US-4906644-A Lipid-peroxide formation inhibiting composition and novel compounds useful therefor MITSUBISHI KASEI CORPORATION (JP) 1990-03-06 US disclosed
EP-0269030-A2 Lipid-peroxide formation inhibiting composition and novel compounds useful therefor MITSUBISHI KASEI CORPORATION (JP) 1988-06-01 EP disclosed