SCHEMBL11174792

SCHEMBL11174792

Brc1ccc(SCc2noc(CSc3ccc(Br)cc3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.44
▸ TSHR P16473 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ L3MBTL1 Q9Y468 5/20 0.43
▸ NPC1 O15118 7/20 0.42
▸ RAB9A P51151 7/20 0.42
▸ SMN1; SMN2 Q16637 7/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ ALDH1A1 P00352 6/20 0.41
▸ TDP1 Q9NUW8 4/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ LMNA P02545 4/20 0.41
▸ RECQL P46063 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL11175604 0.83 L3MBTL1 (0.57) MAPTTSHRMAPK1L3MBTL1NPC1
SCHEMBL11156637 0.83 MAPT (0.41) MAPTTSHRMAPK1L3MBTL1NPC1
SCHEMBL11174901 0.82 L3MBTL1 (0.48) MAPTTSHRMAPK1L3MBTL1NPC1
SCHEMBL11357489 0.78 HDAC8 (0.56) MAPTTSHRMAPK1L3MBTL1NPC1
SCHEMBL11180123 0.74 L3MBTL1 (0.54) MAPTTSHRL3MBTL1NPC1RAB9A
SCHEMBL11180901 0.71 MEN1 (0.40) MAPTL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL11177194 0.69 L3MBTL1 (0.46) MAPTTSHRMAPK1L3MBTL1NPC1
SCHEMBL11167106 0.69 L3MBTL1 (0.46) MAPTTSHRMAPK1L3MBTL1NPC1
SCHEMBL11351553 0.65 L3MBTL1 (0.64) MAPTTSHRMAPK1L3MBTL1NPC1
SCHEMBL2069336 0.64 NPC1 (0.64) MAPTTSHRMAPK1L3MBTL1NPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0007529-B1 ANTIPROTOZOAL OXADIAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM THE WELLCOME FOUNDATION LIMITED (GB) 1983-07-20 — — EP claimed
US-4294842-A MALARIA BURROUGHS WELLCOME CO. (US) 1981-10-13 — — US claimed
EP-0007529-A1 Antiprotozoal oxadiazole derivatives, processes for their preparation and pharmaceutical formulations containing them THE WELLCOME FOUNDATION LIMITED (GB) 1980-02-06 — — EP claimed
EP-0007529-B1 ANTIPROTOZOAL OXADIAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM THE WELLCOME FOUNDATION LIMITED (GB) 1983-07-20 — — EP disclosed
US-4294842-A MALARIA BURROUGHS WELLCOME CO. (US) 1981-10-13 — — US disclosed
EP-0007529-A1 Antiprotozoal oxadiazole derivatives, processes for their preparation and pharmaceutical formulations containing them THE WELLCOME FOUNDATION LIMITED (GB) 1980-02-06 — — EP disclosed
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