SCHEMBL10579198

SCHEMBL10579198

COc1ccc(-c2nc3cc(C(C)(C)CN)ccc3[nH]2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.53
▸ EPHX2 P34913 1/20 0.53
▸ KDM4E B2RXH2 5/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ HPGD P15428 3/20 0.51
▸ GUSB P08236 2/20 0.48
▸ HSD17B10 Q99714 1/20 0.45
▸ PARP1 P09874 1/20 0.45
▸ AMY1A P0DUB6 3/20 0.43
▸ CHEK2 O96017 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ PDE4A P27815 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ PPARG P37231 1/20 0.41

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
SCHEMBL10579204 0.91 ALOX5 (0.62) ALOX5EPHX2KDM4EALDH1A1HPGD
SCHEMBL10573902 0.86 NPC1 (0.54) KDM4EALDH1A1HPGDGUSBHSD17B10
SCHEMBL10576075 0.83 ALOX5 (0.47) ALOX5EPHX2KDM4EALDH1A1HPGD
SCHEMBL10577465 0.82 NPBWR1 (0.53) KDM4EALDH1A1PARP1CHEK2MEN1
SCHEMBL10579325 0.81 DGAT1 (0.51) ALDH1A1HPGDGUSBHSD17B10PARP1
SCHEMBL10576078 0.80 HDAC6 (0.52) KDM4EALDH1A1HPGDHSD17B10PARP1
SCHEMBL10575959 0.79 AMY1A (0.38) AMY1ACHEK2
SCHEMBL10573939 0.79 KDM4E (0.49) KDM4EALDH1A1HPGDGUSBHSD17B10
SCHEMBL31154218 0.79 ALOX5 (0.61) ALOX5EPHX2KDM4EALDH1A1HPGD
SCHEMBL10574074 0.79 AMY1A (0.47) AMY1A

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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