SCHEMBL11152963

SCHEMBL11152963

Cc1nc(CSc2ccccc2N)no1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ CYP1A2 P05177 3/20 0.42
▸ CYP2D6 P10635 3/20 0.42
▸ CYP2C19 P33261 3/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ MAPK1 P28482 3/20 0.40
▸ TP53 P04637 1/20 0.40
▸ SIRT5 Q9NXA8 1/20 0.40
▸ HIF1A Q16665 2/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ SLC6A3 Q01959 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
Hydrochloric Acid SCHEMBL11165095 0.98 POLB (0.45) POLBSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL11155171 0.83 POLB (0.47) POLBSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL11345797 0.80 L3MBTL1 (0.37) SMN1; SMN2NPC1RAB9AMAPTCYP1A2
SCHEMBL11161665 0.79 NOTUM (0.54) POLBSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL11163537 0.75 L3MBTL1 (0.56) POLBSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL24258049 0.74 NPC1 (0.50) POLBSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL11176476 0.73 L3MBTL1 (0.46) POLBSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL11156475 0.71 POLB (0.49) POLBSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL11344812 0.70 L3MBTL1 (0.63) POLBSMN1; SMN2NPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL11151688 0.70 POLB (0.47) POLBSMN1; SMN2NPC1RAB9AMAPT

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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