SCHEMBL7562885

SCHEMBL7562885

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 1/20 0.39
TXNRD1 Q16881 1/20 0.39
NOX4 Q9NPH5 1/20 0.39
NOTUM Q6P988 1/20 0.38
NPC1 O15118 6/20 0.37
RAB9A P51151 6/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
ACE2 Q9BYF1 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ATM Q13315 1/20 0.34

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
SCHEMBL7570381 0.86 CHUK (0.36) CHUKTXNRD1NOX4NOTUMNPC1
SCHEMBL7570507 0.82 PIK3CD (0.35) L3MBTL1ALDH1A1MAPTHSD17B10
SCHEMBL8402282 0.77 CHUK (0.40) CHUKTXNRD1NOX4NOTUMNPC1
SCHEMBL7394051 0.73 TDP1 (0.54) CHUKTXNRD1NOX4NPC1RAB9A
SCHEMBL7404351 0.69 L3MBTL1 (0.45) CHUKTXNRD1NOX4NOTUMNPC1
SCHEMBL13232016 0.69 L3MBTL1 (0.44) CHUKTXNRD1NOX4NOTUMNPC1
SCHEMBL9177470 0.69 FDPS (0.38) ALDH1A1KDM4EMAPT
SCHEMBL8404853 0.68 MEN1 (0.47) NOTUMNPC1RAB9ABCHEACHE
SCHEMBL2062074 0.64 ACHE (0.53) NPC1RAB9ABCHEACHEACE2
SCHEMBL7399348 0.63 GPR55 (0.71) CHUKTXNRD1NOX4NOTUMNPC1

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 6 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-0842163-B1 BENZENE DERIVATIVES WITH A HETEROCYCLIC GROUP BASF AG (DE) 1999-11-03 EP disclosed
US-5886187-A Benzene derivatives having a heterocyclic radical BASF AKTIENGESELLSCHAFT (DE) 1999-03-23 US disclosed
EP-0842163-A1 BENZENE DERIVATIVES WITH A HETEROCYCLIC GROUP BASF AKTIENGESELLSCHAFT (DE) 1998-05-20 EP disclosed
WO-1997005124-A1 BENZENE DERIVATIVES WITH A HETEROCYCLIC GROUP BASF AKTIENGESELLSCHAFT (DE) 1997-02-13 WO disclosed