SCHEMBL13744288

SCHEMBL13744288

COc1cc(C)c(S(=O)(=O)O)cc1N=Nc1cc(C)c(S(=O)(=O)CCOS(=O)(=O)O)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.43
TP53 P04637 2/20 0.43
CREBBP Q92793 1/20 0.43
PTPN1 P18031 2/20 0.41
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 2/20 0.34
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
APEX1 P27695 1/20 0.34
BRCA1 P38398 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
SLC10A1 Q14973 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
SCHEMBL13880656 0.86 PHLPP2 (0.47) TP53PTPN1MEN1KMT2AALDH1A1
SCHEMBL13743964 0.85 BRD4 (0.44) BRD4TP53CREBBPPTPN1MEN1
SCHEMBL13744349 0.85 PTPN1 (0.40) BRD4TP53CREBBPPTPN1MEN1
SCHEMBL8817379 0.84 MEN1 (0.35) PTPN1MEN1KMT2AALDH1A1PTAFR
SCHEMBL11138059 0.83 PTPN1 (0.36) BRD4TP53CREBBPPTPN1MEN1
SCHEMBL11138056 0.83 PTPN1 (0.36) BRD4TP53CREBBPPTPN1MEN1
SCHEMBL22413444 0.82 PTPN1 (0.39) BRD4TP53CREBBPPTPN1MEN1
SCHEMBL11670541 0.81 PTPN1 (0.35) BRD4TP53CREBBPPTPN1MEN1
SCHEMBL11670548 0.81 PTPN1 (0.35) BRD4TP53CREBBPPTPN1MEN1
SCHEMBL14388843 0.81 PTPN1 (0.34) BRD4TP53CREBBPPTPN1ENPP2

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-7572301-B2 Fibre-reactive dyes, their preparation and their use HUNTSMAN INTERNATIONAL LLC (US) 2009-08-11 US disclosed
US-20080250575-A1 Fibre-Reactive Dyes, Their Preparation And Their Use HUNTSMAN INTERNATIONAL LLC 2008-10-16 US disclosed