SCHEMBL10575178

SCHEMBL10575178

CC(=O)NCC(C)(C)c1ccc2nc(-c3c[nH]cn3)[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 1/20 0.42
▸ KDM4E B2RXH2 5/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ TP53 P04637 5/20 0.41
▸ HPGD P15428 5/20 0.41
▸ HSD17B10 Q99714 4/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.39
▸ MPL P40238 2/20 0.38
▸ CBFB Q13951 1/20 0.38
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ ACACB O00763 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ SCN10A Q9Y5Y9 2/20 0.36

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 0.92 MTNR1A (0.37) METAP2KDM4EALDH1A1TP53HPGD
SCHEMBL10575761 0.84 METAP2 (0.43) METAP2KDM4EALDH1A1TP53HPGD
SCHEMBL10695258 0.81 METAP2 (0.48) METAP2KDM4ETP53HPGDHSD17B10
SCHEMBL10576194 0.80 NPBWR1 (0.58) KDM4EALDH1A1TP53HPGDHSD17B10
SCHEMBL10578768 0.80 ALDH1A1 (0.60) KDM4EALDH1A1TP53HPGDHSD17B10
SCHEMBL10574938 0.79 MAPT (0.50) KDM4EALDH1A1HPGDHSD17B10RAB9A
SCHEMBL10575751 0.76 METAP2 (0.34) METAP2HDAC6
SCHEMBL10575172 0.74 PDE2A (0.35) METAP2KDM4EALDH1A1TP53HPGD
SCHEMBL10578228 0.72 ALDH1A1 (0.55) KDM4EALDH1A1TP53HPGDHSD17B10
SCHEMBL10695250 0.72 METAP2 (0.38) METAP2KDM4EHPGDRAB9ASMN1; 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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