SCHEMBL4966966

SCHEMBL4966966

Nc1ccc(Br)c(S(=O)(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.51
ALDH1A1 P00352 6/20 0.49
TDP1 Q9NUW8 5/20 0.49
RECQL P46063 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
CASP6 P55212 3/20 0.49
KDM4E B2RXH2 2/20 0.49
POLB P06746 2/20 0.49
GAA P10253 2/20 0.49
MAPT P10636 2/20 0.49
NSD2 O96028 2/20 0.49
APEX1 P27695 1/20 0.49
APOBEC3A P31941 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ELAVL1 Q15717 1/20 0.46
TSHR P16473 4/20 0.45
NT5E P21589 3/20 0.45
HSD17B10 Q99714 4/20 0.44

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
SCHEMBL18844777 0.83 RAPGEF4 (0.47) RAPGEF4ALDH1A1TDP1RECQLL3MBTL1
SCHEMBL11683705 0.83 CA2 (0.52) RAPGEF4ALDH1A1TDP1L3MBTL1CASP6
SCHEMBL7511717 0.80 RAPGEF4 (0.56) RAPGEF4ALDH1A1TDP1RECQLL3MBTL1
Ethane SCHEMBL22412774 0.79 CA2 (0.48) RAPGEF4ALDH1A1TDP1L3MBTL1CASP6
SCHEMBL25759567 0.79 CA2 (0.39) RAPGEF4ALDH1A1TDP1RECQLL3MBTL1
SCHEMBL7099533 0.78 RAPGEF4 (0.55) RAPGEF4ALDH1A1TDP1RECQLL3MBTL1
SCHEMBL115254 0.78 ALDH1A1 (0.55) RAPGEF4ALDH1A1TDP1RECQLL3MBTL1
SCHEMBL1325572 0.78 PTPN1 (0.41) ALDH1A1TDP1RECQLKDM4EPOLB
SCHEMBL198694 0.78 ALDH1A1 (0.44) ALDH1A1L3MBTL1POLBMEN1KMT2A
SCHEMBL31357032 0.78 ALDH1A1 (0.44) ALDH1A1L3MBTL1POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101351508-B Reactive dyes, process for their preparation and their use HUNTSMAN ADV MAT SWITZERLAND 2012-12-26 CN disclosed
CN-101351508-A Reactive dyes, process for their preparation and their use HUNTSMAN ADV MAT SWITZERLAND (CH) 2009-01-21 CN disclosed
EP-1969067-A2 REACTIVE DYES, A PROCESS FOR THEIR PREPARATION AND THEIR USE Huntsman Advanced Materials (Switzerland) GmbH (CH) 2008-09-17 EP disclosed
WO-2007077129-A2 REACTIVE DYES, A PROCESS FOR THEIR PREPARATION AND THEIR USE HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2007-07-12 WO disclosed
US-3931261-A Bromosalicylanilide biocidal agents GAF CORPORATION (US) 1976-01-06 US disclosed