SCHEMBL11351553

SCHEMBL11351553

Cc1ccc(SCc2noc(-c3ccccc3)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 5/20 0.64
▸ ALDH1A1 P00352 3/20 0.60
▸ MAPT P10636 4/20 0.59
▸ MAPK1 P28482 3/20 0.59
▸ TSHR P16473 2/20 0.59
▸ NPC1 O15118 6/20 0.55
▸ RAB9A P51151 6/20 0.55
▸ NFKB1 P19838 1/20 0.55
▸ NFKB2 Q00653 1/20 0.55
▸ RELA Q04206 1/20 0.55
▸ HDAC8 Q9BY41 1/20 0.55
▸ NOTUM Q6P988 1/20 0.53
▸ SMN1; SMN2 Q16637 6/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ CASP3 P42574 1/20 0.52
▸ SENP8 Q96LD8 1/20 0.52
▸ SENP7 Q9BQF6 1/20 0.52
▸ SENP6 Q9GZR1 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.51
▸ PKM P14618 1/20 0.51

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
SCHEMBL11357489 0.87 HDAC8 (0.56) L3MBTL1ALDH1A1MAPTMAPK1TSHR
SCHEMBL11161665 0.75 NOTUM (0.54) L3MBTL1ALDH1A1MAPTMAPK1NPC1
SCHEMBL11152712 0.74 NOTUM (0.49) L3MBTL1ALDH1A1MAPTNPC1RAB9A
SCHEMBL31494436 0.74 RAB9A (0.46) L3MBTL1ALDH1A1MAPTNPC1RAB9A
SCHEMBL120396 0.73 NOTUM (0.68) L3MBTL1ALDH1A1MAPTNPC1RAB9A
SCHEMBL91656 0.73 SMN1; SMN2 (0.70) L3MBTL1ALDH1A1MAPTNPC1RAB9A
SCHEMBL14081496 0.72 NPC1 (1.00) L3MBTL1ALDH1A1MAPTMAPK1TSHR
SCHEMBL12071899 0.72 L3MBTL1 (0.57) L3MBTL1ALDH1A1MAPTMAPK1NPC1
SCHEMBL10053916 0.72 MAPT (0.57) L3MBTL1ALDH1A1MAPTMAPK1NPC1
SCHEMBL11549559 0.72 NPC1 (1.00) L3MBTL1ALDH1A1MAPTMAPK1TSHR

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-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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