SCHEMBL10574195

SCHEMBL10574195

CCC(C)(NC(=O)C(C)C)c1ccc2[nH]c(-c3ccncc3)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKN1 Q16512 5/20 0.43
▸ PKN2 Q16513 5/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ HDAC6 Q9UBN7 4/20 0.41
▸ ATM Q13315 1/20 0.40
▸ RHEB Q15382 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ IKBKB O14920 1/20 0.38

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
SCHEMBL10578757 0.89 KDM4E (0.50) PKN1PKN2KDM4EALDH1A1HPGD
SCHEMBL10579000 0.78 CYP2C9 (0.43) PKN1PKN2KDM4EALDH1A1HPGD
SCHEMBL10576187 0.78 NPBWR1 (0.46) KDM4EALDH1A1HPGDHSD17B10HDAC6
SCHEMBL10578398 0.76 SCD (0.48) PKN1PKN2KDM4EALDH1A1HPGD
SCHEMBL10574973 0.75 PKN1 (0.52) PKN1PKN2KDM4EALDH1A1HPGD
SCHEMBL10579076 0.75 KDM4E (0.47) PKN1PKN2KDM4EALDH1A1HPGD
SCHEMBL25110163 0.75 HDAC6 (0.57) PKN1PKN2KDM4EALDH1A1HPGD
SCHEMBL10575366 0.74 PKN1 (0.53) PKN1PKN2KDM4EALDH1A1HPGD
SCHEMBL10578748 0.74 KDM4E (0.51) PKN1PKN2KDM4EALDH1A1HPGD
SCHEMBL10576368 0.74 PKN1 (0.48) PKN1PKN2KDM4EALDH1A1HPGD

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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