SCHEMBL11155171

SCHEMBL11155171

Nc1ccccc1SCc1noc(CSc2ccccc2N)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.47
▸ SMN1; SMN2 Q16637 9/20 0.41
▸ NPC1 O15118 9/20 0.41
▸ RAB9A P51151 9/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ SIRT5 Q9NXA8 1/20 0.41
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ RET P07949 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.38
▸ MAPT P10636 4/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38

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
SCHEMBL11176476 0.88 L3MBTL1 (0.46) POLBSMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL11152963 0.83 POLB (0.46) POLBSMN1; SMN2NPC1RAB9AMAPK1
Hydrochloric Acid SCHEMBL11165095 0.81 POLB (0.45) POLBSMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL11152898 0.81 SLC6A2 (0.39) SMN1; SMN2NPC1RAB9AMAPK1TP53
SCHEMBL11161665 0.80 NOTUM (0.54) POLBSMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL11163537 0.76 L3MBTL1 (0.56) POLBSMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL24258049 0.75 NPC1 (0.50) POLBSMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL11156475 0.72 POLB (0.49) POLBSMN1; SMN2NPC1RAB9AMAPK1
Hydrochloric Acid SCHEMBL11151688 0.71 POLB (0.47) POLBSMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL11177194 0.70 L3MBTL1 (0.46) POLBSMN1; SMN2NPC1RAB9AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0008356-B1 OXADIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL COMPOSITIONS THE WELLCOME FOUNDATION LIMITED (GB) 1983-07-20 — — EP disclosed
US-4294843-A MALARIA BURROUGHS WELLCOME CO. (US) 1981-10-13 — — US disclosed
EP-0008356-A1 Oxadiazole derivatives, process for their preparation and their pharmaceutical compositions THE WELLCOME FOUNDATION LIMITED (GB) 1980-03-05 — — EP disclosed
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