SCHEMBL9378633

SCHEMBL9378633

CC1C(=O)N(c2nc3ccccc3s2)N=C1c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P4HTM Q9NXG6 1/20 0.52
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ AGER Q15109 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ MEN1 O00255 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ SLC11A2 P49281 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TP53 P04637 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ THRB P10828 1/20 0.39

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
SCHEMBL9379022 0.77 LOX (0.54) MEN1LMNAMAPTKMT2AKDM4E
SCHEMBL9379932 0.75 MEN1 (0.64) P4HTMNPC1RAB9ACYP1A2CYP2D6
SCHEMBL9383881 0.74 KDM4E (0.45) CYP1A2CYP2C9MEN1MAPTKMT2A
SCHEMBL9379816 0.74 VHL (0.46) P4HTMNPC1RAB9ACYP2C9MEN1
SCHEMBL9379617 0.74 CES2 (0.39) NPC1RAB9ACYP1A2MEN1MAPT
SCHEMBL9379150 0.73 KDM4E (0.56) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL9383599 0.72 P4HTM (0.45) P4HTMCYP1A2CYP2C9MEN1LMNA
SCHEMBL9378591 0.72 KDM4E (0.46) NPC1RAB9ACYP1A2MEN1LMNA
SCHEMBL9385752 0.72 KDM4E (0.46) NPC1RAB9ACYP1A2CYP2C9MEN1
SCHEMBL9383573 0.72 KDM4E (0.38) CYP1A2CYP2C9MEN1LMNAMAPT

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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