SCHEMBL10579204

SCHEMBL10579204

COc1ccc(-c2nc3ccc(C(C)(C)CN)cc3[nH]2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.62
▸ EPHX2 P34913 1/20 0.62
▸ KDM4E B2RXH2 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ AMY1A P0DUB6 5/20 0.50
▸ CHEK2 O96017 4/20 0.48
▸ GUSB P08236 2/20 0.48
▸ PDE4A P27815 3/20 0.48
▸ PDE4B Q07343 3/20 0.48
▸ PDE4C Q08493 3/20 0.48
▸ PDE4D Q08499 3/20 0.48
▸ NPBWR1 P48145 1/20 0.47
▸ TRPV1 Q8NER1 2/20 0.47

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
SCHEMBL10579198 0.91 ALOX5 (0.53) ALOX5EPHX2KDM4EALDH1A1HPGD
SCHEMBL10573910 0.86 SLC2A1 (0.62) KDM4EALDH1A1HPGDCHEK2NPBWR1
SCHEMBL10576087 0.83 ALOX5 (0.56) ALOX5EPHX2KDM4EALDH1A1HPGD
SCHEMBL10577479 0.82 NPBWR1 (0.67) ALDH1A1CHEK2NPBWR1TRPV1
SCHEMBL10579334 0.81 DGAT1 (0.64) ALDH1A1HPGDCHEK2NPBWR1TRPV1
SCHEMBL10576089 0.80 NPBWR1 (0.64) KDM4EALDH1A1HPGDCHEK2NPBWR1
SCHEMBL10693991 0.79 AMY1A (0.45) ALOX5EPHX2AMY1ACHEK2NPBWR1
SCHEMBL10573947 0.79 NPC1 (0.58) KDM4EALDH1A1HPGDNPBWR1TRPV1
SCHEMBL10574081 0.79 AMY1A (0.56) AMY1ANPBWR1
SCHEMBL10580044 0.77 AMY1A (0.41) AMY1ACHEK2NPBWR1TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4882342-A CARDIOVASCULAR DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1989-11-21 — — US disclosed
EP-0266558-A2 5-Alkylbenzimidazoles, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1988-05-11 — — EP disclosed
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