SCHEMBL27735001

SCHEMBL27735001

COc1cccc(C2=NN(c3ccccc3Br)C(C=O)N(c3ccsc3)C2)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 5/20 0.37
▸ MMP9 P14780 2/20 0.37
▸ PDE5A O76074 1/20 0.36
▸ MMP8 P22894 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ ALPG P10696 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ TSHR P16473 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAOB P27338 1/20 0.32

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
SCHEMBL27580465 0.89 PDE5A (0.41) MMP2MMP9PDE5AMMP8LMNA
SCHEMBL27755585 0.84 PDE5A (0.43) MMP2MMP9PDE5ALMNAALDH1A1
SCHEMBL27735022 0.82 MMP2 (0.36) MMP2MMP9PDE5ALMNAKDM4E
SCHEMBL27755589 0.78 PRKCZ (0.31) —
SCHEMBL27598051 0.78 NPSR1 (0.40) LMNAALDH1A1RAB9AL3MBTL1HPGD
SCHEMBL27755584 0.77 PDE5A (0.40) MMP2MMP9PDE5AMMP8LMNA
SCHEMBL27734996 0.74 MEN1 (0.36) LMNAALDH1A1KDM4ERAB9AL3MBTL1
SCHEMBL27755567 0.73 PDE5A (0.42) MMP2MMP9PDE5AALDH1A1KDM4E
SCHEMBL27735013 0.71 PDE10A (0.37) PDE5AALDH1A1KDM4EL3MBTL1
SCHEMBL27755569 0.66 PRKCZ (0.36) ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101486683-B Pyridazinone and triazinone compounds and their use as pharmaceutical formulations Sanitary Material R&D Management Co.,Ltd. (JP) 2011-12-21 — — CN disclosed
CN-101486683-A Pyridazinone and triazinone compounds and their use as pharmaceutical formulations EISAI R&D MAN CO LTD (JP) 2009-07-22 — — CN disclosed
CN-100473647-C Pyridazinone and triazinone compounds and their use as pharmaceutical formulations EISAI CO LTD (JP) 2009-04-01 — — CN disclosed
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