SCHEMBL10522599

SCHEMBL10522599

CCOc1ccc(NS(=O)(=O)c2ccc3[nH]cc(CCNC(=O)O)c3c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 8/20 0.65
▸ MAPT P10636 7/20 0.65
▸ HSD17B10 Q99714 4/20 0.62
▸ TP53 P04637 4/20 0.62
▸ NPC1 O15118 3/20 0.62
▸ ALDH1A1 P00352 3/20 0.62
▸ HPGD P15428 3/20 0.62
▸ SMN1; SMN2 Q16637 3/20 0.62
▸ RAB9A P51151 2/20 0.62
▸ LMNA P02545 2/20 0.62
▸ KDM4E B2RXH2 2/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ ALOX12 P18054 1/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ USP2 O75604 2/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ THRB P10828 1/20 0.56
▸ LTA4H P09960 2/20 0.55
▸ PLA2G2A P14555 2/20 0.55

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
SCHEMBL5334421 0.93 MAPT (0.63) POLBMAPTHSD17B10TP53NPC1
SCHEMBL10523079 0.88 HSD17B10 (0.58) POLBMAPTHSD17B10TP53NPC1
Hydrochloric Acid SCHEMBL10520461 0.87 HSD17B10 (0.57) POLBMAPTHSD17B10TP53NPC1
Hydrochloric Acid SCHEMBL10523102 0.87 HSD17B10 (0.57) POLBMAPTHSD17B10TP53NPC1
Hydrochloric Acid SCHEMBL10525312 0.86 HSD17B10 (0.56) POLBMAPTHSD17B10TP53NPC1
Hydrochloric Acid SCHEMBL10521981 0.83 HSD17B10 (0.58) POLBMAPTHSD17B10TP53NPC1
Hydrochloric Acid SCHEMBL10520762 0.83 HTR6 (0.64) POLBMAPTHSD17B10TP53NPC1
Hydrochloric Acid SCHEMBL10522484 0.82 HTR6 (0.62) POLBMAPTHSD17B10TP53NPC1
SCHEMBL10521905 0.78 POLB (0.55) POLBMAPTHSD17B10TP53NPC1
SCHEMBL18038659 0.75 MAPT (0.93) POLBMAPTHSD17B10TP53NPC1

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-4876267-A MIGRANES GLAXO GROUP LIMITED (GB) 1989-10-24 — — US disclosed
EP-0254433-A2 Indole derivatives GLAXO GROUP LIMITED (GB) 1988-01-27 — — EP disclosed
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