SCHEMBL9379883

SCHEMBL9379883

O=C1CC(Cn2ccnc2)=NN1c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 6/20 0.52
▸ CYP11B2 P19099 5/20 0.52
▸ CYP19A1 P11511 4/20 0.52
▸ CYP2A6 P11509 1/20 0.52
▸ CYP2B6 P20813 1/20 0.52
▸ MAPT P10636 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SHMT2 P34897 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ NOTUM Q6P988 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ TSHR P16473 1/20 0.40

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
SCHEMBL9378198 0.88 CYP19A1 (0.52) CYP11B1CYP11B2CYP19A1MAPTMEN1
SCHEMBL9379690 0.87 CYP19A1 (0.47) CYP11B1CYP11B2CYP19A1MEN1ALDH1A1
SCHEMBL9378225 0.87 CYP19A1 (0.51) CYP11B1CYP11B2CYP19A1SHMT2
SCHEMBL9379475 0.87 SHMT2 (0.57) CYP11B1CYP11B2CYP19A1MAPTMEN1
SCHEMBL9378307 0.86 SIGMAR1 (0.40) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL9379610 0.85 SHMT2 (0.49) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL9377622 0.84 TBXAS1 (0.47) CYP19A1MEN1ALDH1A1LMNAKMT2A
SCHEMBL9378510 0.84 MEN1 (0.57) CYP11B1CYP11B2CYP19A1MEN1KMT2A
SCHEMBL9379658 0.82 TBXAS1 (0.51) CYP19A1MEN1ALDH1A1LMNAKMT2A
SCHEMBL9385351 0.82 ALDH1A1 (0.50) CYP19A1MEN1ALDH1A1LMNAKMT2A

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
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