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SCHEMBL4603394

SCHEMBL4603394

O=S(=O)(Cc1ccccc1COc1c(Cc2ccccc2)sc2ccccc12)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 15/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ SENP5 Q96HI0 3/20 0.35
▸ SENP2 Q9HC62 3/20 0.35
▸ SENP1 Q9P0U3 3/20 0.35
▸ USP2 O75604 1/20 0.35

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
SCHEMBL4633967 0.81 HSD11B1 (0.46) PTPN1NPC1RAB9ASMN1; SMN2HSD11B1
SCHEMBL4603283 0.78 HSD11B1 (0.44) HSD11B1SENP5SENP2SENP1USP2
SCHEMBL4827473 0.78 NPC1 (0.33) NPC1RAB9ASMN1; SMN2HSD11B1
SCHEMBL1382902 0.75 LMNA (0.55) HSD11B1
SCHEMBL4633589 0.75 ALDH1A1 (0.44) HSD11B1SENP5SENP2SENP1USP2
SCHEMBL5517674 0.71 HTR2A (0.50) NPC1RAB9ASMN1; SMN2
SCHEMBL11731930 0.69 PTPN1 (0.46) PTPN1NPC1RAB9ASMN1; SMN2SENP5
SCHEMBL1715949 0.66 IDO1 (0.48) NPC1RAB9ASMN1; SMN2
SCHEMBL18216664 0.66 PSIP1 (0.48) NPC1RAB9ASMN1; SMN2HSD11B1
SCHEMBL1282847 0.65 PTPRC (0.41) PTPN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685122-B1 BENZOFURANS AND BENZOTHIOPHENES MERCK PATENT GMBH (DE) 2008-07-09 — — EP disclosed