SCHEMBL10576972

SCHEMBL10576972

CCCS(=O)(=O)NCC(C)(C)c1ccc2[nH]c(-c3ccc(OC)cc3)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ PKM P14618 2/20 0.44
▸ SLC2A1 P11166 1/20 0.43
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ CHEK2 O96017 6/20 0.41
▸ BRAF P15056 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TRPV1 Q8NER1 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ STAT1 P42224 1/20 0.40

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
SCHEMBL10576976 0.92 SLC2A1 (0.50) SMN1; SMN2NPC1KDM4ERAB9AALDH1A1
SCHEMBL10575145 0.88 SMN1; SMN2 (0.47) SMN1; SMN2NPC1KDM4ERAB9AALDH1A1
SCHEMBL10576389 0.87 SCD (0.41) NPC1KDM4ERAB9AALDH1A1HSD17B10
SCHEMBL10578101 0.86 TRPV1 (0.46) SMN1; SMN2NPC1KDM4ERAB9AALDH1A1
SCHEMBL10572942 0.85 SMN1; SMN2 (0.45) SMN1; SMN2NPC1KDM4ERAB9AALDH1A1
SCHEMBL10573685 0.84 SMN1; SMN2 (0.50) SMN1; SMN2NPC1KDM4ERAB9AALDH1A1
SCHEMBL10574269 0.81 NPC1 (0.48) SMN1; SMN2NPC1KDM4ERAB9AALDH1A1
SCHEMBL10575156 0.80 SLC2A1 (0.54) SMN1; SMN2NPC1KDM4ERAB9AALDH1A1
SCHEMBL10574975 0.79 SMN1; SMN2 (0.46) SMN1; SMN2NPC1KDM4ERAB9AALDH1A1
SCHEMBL10576401 0.79 SCD (0.48) SMN1; SMN2NPC1KDM4ERAB9AALDH1A1

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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