SCHEMBL10575172

SCHEMBL10575172

CCC(C)(NC(C)=O)c1ccc2[nH]c(-c3c[nH]cn3)nc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 2/20 0.35
▸ KDM4E B2RXH2 4/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ TP53 P04637 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ METAP2 P50579 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GCK P35557 1/20 0.32
▸ MPL P40238 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TNKS O95271 1/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ TNKS2 Q9H2K2 1/20 0.31
▸ HDAC3 O15379 1/20 0.30

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
SCHEMBL10575162 0.82 MTNR1A (0.37) KDM4EALDH1A1RAB9ATP53SMN1; SMN2
SCHEMBL10576187 0.80 NPBWR1 (0.46) KDM4EALDH1A1RAB9ATP53SMN1; SMN2
SCHEMBL10578757 0.80 KDM4E (0.50) PDE2AKDM4EALDH1A1RAB9ATP53
SCHEMBL10574927 0.79 PDE2A (0.50) PDE2AALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL10695250 0.76 METAP2 (0.38) KDM4ERAB9ASMN1; SMN2HDAC6NPC1
SCHEMBL10575751 0.75 METAP2 (0.34) HDAC6METAP2
SCHEMBL10575178 0.74 METAP2 (0.42) KDM4EALDH1A1RAB9ATP53SMN1; SMN2
SCHEMBL10695060 0.72 NPC1 (0.40) ALDH1A1RAB9ASMN1; SMN2HDAC6NPC1
SCHEMBL10574195 0.69 PKN1 (0.43) PDE2AKDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL31154200 0.67 GAA (0.48) KDM4EALDH1A1RAB9ATP53SMN1; SMN2

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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