SCHEMBL10553318

SCHEMBL10553318

CCCCCCc1nc2cc3c(cc2[nH]1)[nH]c(=O)n3C

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.56
▸ GPR84 Q9NQS5 5/20 0.45
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 2/20 0.41
▸ PKM P14618 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NR2F2 P24468 1/20 0.41
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 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
SCHEMBL10555809 0.90 KMT2A (0.69) KMT2ALMNAMAPTKDM4EMEN1
SCHEMBL10719101 0.80 PRKAG1 (0.56) KMT2ALMNAMAPTKDM4E
SCHEMBL10553230 0.78 PDE1A (0.56) KMT2ALMNAMAPTMEN1CYP2C19
SCHEMBL10551972 0.78 MAPT (0.56) KMT2ALMNAMAPTKDM4E
SCHEMBL10554501 0.77 KMT2A (0.46) KMT2ALMNAMAPTMEN1TDP1
SCHEMBL9721048 0.74 KMT2A (0.58) KMT2AGPR84MAPTPKMKDM4E
SCHEMBL19025143 0.74 KMT2A (0.58) KMT2AGPR84MAPTPKMKDM4E
SCHEMBL9720919 0.74 KMT2A (0.58) KMT2AGPR84MAPTPKMKDM4E
SCHEMBL9677526 0.74 LMNA (0.54) KMT2ALMNAMAPTKDM4EMEN1
SCHEMBL10552435 0.73 GPR84 (0.46) KMT2AGPR84MAPTPKMKDM4E

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
US-4831032-A CARDIOVASCULAR DISORDERS, HYPOTENSIVE, ISOTROPIC AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1989-05-16 — — US disclosed
EP-0224919-A2 New thiazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-06-10 — — EP disclosed
EP-0207483-A2 Benzimidazoles, process for their preparation, medicaments containing them and intermediates Roche Diagnostics GmbH (DE) 1987-01-07 — — EP disclosed
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