SCHEMBL10574094

SCHEMBL10574094

COc1ccc(-c2nc3ccc(C(C)(C)CNC=O)cc3[nH]2)cn1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 8/20 0.44
▸ KCNH2 Q12809 5/20 0.44
▸ SOAT1 P35610 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TRPV1 Q8NER1 2/20 0.41
▸ CHEK2 O96017 1/20 0.41
▸ NPBWR1 P48145 4/20 0.41
▸ HRH4 Q9H3N8 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.39
▸ LOXL2 Q9Y4K0 1/20 0.39
▸ ADORA2A P29274 2/20 0.39
▸ SLC2A1 P11166 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
SCHEMBL10574083 0.92 LOXL2 (0.39) DGAT1KCNH2SOAT1KDM4EALDH1A1
SCHEMBL10579971 0.87 NPC1 (0.49) DGAT1KCNH2SOAT1KDM4EALDH1A1
SCHEMBL10574922 0.86 HDAC6 (0.43) DGAT1KCNH2SOAT1KDM4EALDH1A1
SCHEMBL10574279 0.86 SLC2A1 (0.55) KDM4EALDH1A1POLBMAPTHPGD
SCHEMBL10576087 0.84 ALOX5 (0.56) KDM4EALDH1A1HPGDTRPV1CHEK2
SCHEMBL10574680 0.82 NPBWR1 (0.59) DGAT1KCNH2SOAT1ALDH1A1MAPT
SCHEMBL10578447 0.82 NPBWR1 (0.40) DGAT1KCNH2SOAT1KDM4EALDH1A1
SCHEMBL10576002 0.82 HDAC6 (0.36) DGAT1KCNH2MAPTTRPV1HRH4
SCHEMBL10578004 0.81 NPBWR1 (0.58) DGAT1KCNH2SOAT1TRPV1NPBWR1
SCHEMBL10577338 0.81 DGAT1 (0.57) DGAT1KCNH2SOAT1MAPTTRPV1

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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