SCHEMBL10575162

SCHEMBL10575162

CC(=O)NCC(C)(C)c1ccc2[nH]c(-c3c[nH]cn3)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.37
▸ MTNR1B P49286 1/20 0.37
▸ ACACB O00763 6/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ TP53 P04637 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ GCK P35557 1/20 0.34
▸ ATR Q13535 1/20 0.34
▸ METAP2 P50579 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ MPL P40238 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL10575178 0.92 METAP2 (0.42) ACACBKDM4EALDH1A1TP53SMN1; SMN2
SCHEMBL10575751 0.84 METAP2 (0.34) METAP2HDAC6
SCHEMBL10575172 0.82 PDE2A (0.35) KDM4EALDH1A1TP53SMN1; SMN2NPC1
SCHEMBL10695250 0.81 METAP2 (0.38) KDM4ESMN1; SMN2NPC1HPGDRAB9A
SCHEMBL10578748 0.80 KDM4E (0.51) KDM4EALDH1A1TP53SMN1; SMN2NPC1
SCHEMBL10576178 0.80 NPBWR1 (0.46) KDM4EALDH1A1TP53SMN1; SMN2NPC1
SCHEMBL10574919 0.79 MTNR1A (0.40) MTNR1AMTNR1BACACBKDM4EALDH1A1
SCHEMBL10575761 0.76 METAP2 (0.43) KDM4EALDH1A1TP53SMN1; SMN2NPC1
SCHEMBL10695056 0.73 AMY1A (0.41) MTNR1AMTNR1BACACBTP53SMN1; SMN2
SCHEMBL10578223 0.72 KDM4E (0.47) KDM4EALDH1A1TP53SMN1; SMN2NPC1

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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