SCHEMBL8510448

SCHEMBL8510448

C=CS(=O)(=O)c1ccccc1-c1[c]cccc1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
XBP1 P17861 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
MDM2 Q00987 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL8509470 0.91
SCHEMBL8507813 0.83 NPC1 (0.36) NPC1ALDH1A1LMNATP53MAPT
SCHEMBL8510774 0.81 TTR (0.38) ALDH1A1TSHRMAPK1SMN1; SMN2HSD17B10
SCHEMBL5030908 0.77 HSD11B1 (0.40) ALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL8510129 0.76
SCHEMBL3435329 0.75 HTR6 (0.46) ALDH1A1TSHRHTT
SCHEMBL9694039 0.73 NPC1 (0.44) NPC1ALDH1A1LMNATP53MAPT
SCHEMBL7179095 0.73 FEN1 (0.41) ALDH1A1LMNATSHR
SCHEMBL10860884 0.73 TSHR (0.43) NPC1ALDH1A1LMNATP53MAPT
SCHEMBL9696214 0.73 BTK (0.37) NPC1ALDH1A1LMNATP53MAPT

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
US-5980590-A HIGH COLOR YIELD; FOR DYEING OR PRINTING OF CELLULOSIC FIBERS, WOOL, AND POLYAMIDE FIBERS DYSTAR TEXILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 1999-11-09 US disclosed