SCHEMBL9378758

SCHEMBL9378758

CCCCC1C(=O)N(c2ccc(Cl)c(Cl)c2)N=C1Cn1ccnc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.39
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP19A1 P11511 3/20 0.35
DPP4 P27487 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP11B1 P15538 5/20 0.34
CYP17A1 P05093 1/20 0.34
CYP21A2 P08686 1/20 0.34
WDR5 P61964 2/20 0.34
CYP11B2 P19099 4/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2B6 P20813 1/20 0.34
KCNH2 Q12809 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 1/20 0.33

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
SCHEMBL9379529 0.90 SIGMAR1 (0.40) SIGMAR1ALOX15HSD17B10CYP19A1CYP11B1
SCHEMBL9382915 0.89 CYP19A1 (0.44) CYP19A1CYP11B1CYP17A1CYP21A2CYP11B2
SCHEMBL9382448 0.86 CYP19A1 (0.45) CYP19A1CYP11B1CYP11B2
SCHEMBL9380107 0.84 CES2 (0.46) CYP19A1LMNACYP11B1CYP17A1CYP11B2
SCHEMBL9378469 0.84 CYP11B1 (0.46) HSD17B10CYP19A1LMNASMN1; SMN2CYP11B1
SCHEMBL9379946 0.84 TBXAS1 (0.41) CYP19A1LMNASMN1; SMN2CYP11B1CYP11B2
SCHEMBL9379777 0.83 CYP19A1 (0.43) CYP19A1CYP11B1CYP11B2
SCHEMBL9383381 0.78 CYP11B1 (0.36) CYP19A1LMNASMN1; SMN2CYP11B1CYP11B2
SCHEMBL9383526 0.78 CYP19A1 (0.48) CYP19A1CYP11B1CYP17A1CYP21A2CYP11B2
SCHEMBL9380139 0.76 TBXAS1 (0.41) CYP19A1LMNASMN1; SMN2CYP11B1CYP11B2

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