SCHEMBL7570381

SCHEMBL7570381

Nc1ccccc1-c1nc(CCS(=O)(=O)CCOS(=O)(=O)O)no1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 1/20 0.36
TXNRD1 Q16881 1/20 0.36
NOX4 Q9NPH5 1/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
PPARG P37231 2/20 0.32
PPARA Q07869 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL7562885 0.86 CHUK (0.39) CHUKTXNRD1NOX4NPC1RAB9A
SCHEMBL7570507 0.72 PIK3CD (0.35) L3MBTL1ALDH1A1MAPTHSD17B10
SCHEMBL7394051 0.70 TDP1 (0.54) CHUKTXNRD1NOX4NPC1RAB9A
SCHEMBL8402282 0.69 CHUK (0.40) CHUKTXNRD1NOX4NPC1RAB9A
SCHEMBL7404351 0.68 L3MBTL1 (0.45) CHUKTXNRD1NOX4NPC1RAB9A
SCHEMBL13232016 0.66 L3MBTL1 (0.44) CHUKTXNRD1NOX4NPC1RAB9A
SCHEMBL8019359 0.63 RECQL (0.51) NPC1RAB9AKDM4EALDH1A1
SCHEMBL28854623 0.63 CA1 (0.41) NPC1RAB9AL3MBTL1SMN1; SMN2MAPK1
SCHEMBL1170678 0.62 KYNU (0.47) KDM4EALDH1A1MAPTHSD17B10
SCHEMBL27548378 0.61 ALDH1A1 (0.50) SMN1; SMN2MAPK1KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0929610-B1 REACTIVE DYES WITH A HETEROCYCLIC ANCHOR DYSTAR TEXTILFARBEN GMBH & CO (DE) 2002-08-28 EP disclosed
US-6197941-B1 TRIAZINE, METALLIZED, AZO, ANTHRAQUINONE, FORMAZAN, PHTHALOCYANINE, AND DIOXAZINE DYES BASF AKTIENGESELLSCHAFT (DE) 2001-03-06 US disclosed
EP-0929610-A1 REACTIVE DYES WITH A HETEROCYCLIC ANCHOR BASF AKTIENGESELLSCHAFT (DE) 1999-07-21 EP disclosed
WO-1998014522-A1 REACTIVE DYES WITH A HETEROCYCLIC ANCHOR BASF AKTIENGESELLSCHAFT (DE) 1998-04-09 WO disclosed