SCHEMBL8178372

SCHEMBL8178372

O=S(=O)(O)c1[c]ccc(-c2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
ACMSD Q8TDX5 3/20 0.38
HNF4A P41235 2/20 0.38
DHFR P00374 1/20 0.38
MCL1 Q07820 1/20 0.38
HDAC8 Q9BY41 2/20 0.36
KMO O15229 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC2 Q92769 1/20 0.36
ALOX5 P09917 1/20 0.35
MEN1 O00255 1/20 0.35
APAF1 O14727 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
XBP1 P17861 1/20 0.35
PTBP1 P26599 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
SCHEMBL8570528 0.87 KDM4E (0.30) ALDH1A1
SCHEMBL6640010 0.81 CA2 (0.47) ACMSDHNF4ADHFRMCL1HDAC8
SCHEMBL5237975 0.81 PTGS2 (0.39) PTPN1SMN1; SMN2ACMSDHNF4ADHFR
SCHEMBL7403541 0.77 PTPN1 (0.41) PTPN1SMN1; SMN2ACMSDHNF4ADHFR
SCHEMBL6643221 0.77 HTR6 (0.39) TSHRL3MBTL1PFKFB3ACLY
SCHEMBL28428524 0.77 ALDH1A1 (0.42) MCL1MEN1NPC1LMNAMAPT
SCHEMBL2152786 0.75 ALDH1A1 (0.44) TSHRMEN1LMNAMAPTTHRB
SCHEMBL11141080 0.74 PTPN1 (0.37) PTPN1SMN1; SMN2TSHRACMSDHNF4A
SCHEMBL7465376 0.74 MAPT (0.41) SMN1; SMN2MEN1NPC1LMNAMAPT
SCHEMBL7392188 0.73 KDM4E (0.33) SMN1; SMN2MEN1NPC1MAPTKMT2A

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-6090163-A SYNERGISTIC MIXTURE OF AZO DYES OF GIVEN FORMULAS IN GIVEN MOLAR RATIO; HIGH COLOR STRENGTH; EACH DYE HAS A FIBER-REACTIVE RADICAL OF THE VINYL SULFONE SERIES ATTACHED TO THE BENZENE NUCLEUS META OR PARA THE AZO GROUP DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2000-07-18 US disclosed
US-4560709-A CONTAINING DUAL CATALYST OF AROMATIC IODONIUM SALT AND AROMATIC OXY KETONE CIBA GEIGY CORPORATION (US) 1985-12-24 US disclosed