SCHEMBL10508320

SCHEMBL10508320

Cc1c[c]c(S(=O)(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.36
TP53 P04637 1/20 0.33
CREBBP Q92793 1/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33
ESR2 Q92731 1/20 0.33
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MYC P01106 1/20 0.31
CASR P41180 1/20 0.30

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
SCHEMBL5049711 0.84 BRD4 (0.39) BRD4TP53CREBBPMYCCASR
SCHEMBL2468059 0.83
SCHEMBL7752958 0.82 BRD4 (0.37) BRD4TP53CREBBPPOLBRECQL
SCHEMBL6633299 0.81 LMNA (0.31) LMNAHPGDHIF1AHSD17B10
SCHEMBL9167903 0.80 BRD4 (0.33) BRD4TP53CREBBPHPGDHIF1A
SCHEMBL5509341 0.78 CA12 (0.31)
SCHEMBL6142173 0.78 HSD17B10 (0.40) LMNAHPGDHIF1AHSD17B10
SCHEMBL10646743 0.76 TTR (0.36) BRD4TP53CREBBPPOLBRECQL
SCHEMBL10504821 0.76 ALDH1A1 (0.39) TP53POLBRECQLLMNAHPGD
SCHEMBL1377271 0.76 BRD4 (0.33) BRD4TP53CREBBPPOLBRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0190603-B1 AMINOALKYLENESULFONE-TRIPHENEDIOXAZINE DYES BAYER AG (DE) 1989-03-22 EP disclosed
US-4806640-A Triphendioxazine reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1989-02-21 US disclosed
EP-0205080-B1 TRIPHENODIOXAZINE-DISULFIMIDE REACTIVE DYES BAYER AG (DE) 1989-01-18 EP disclosed
EP-0204245-B1 REACTIVE DYES BAYER AG (DE) 1988-12-21 EP disclosed
EP-0205080-A2 Triphenodioxazine-disulfimide reactive dyes BAYER AG (DE) 1986-12-17 EP disclosed
EP-0204245-A2 Reactive dyes BAYER AG (DE) 1986-12-10 EP disclosed
EP-0190603-A2 Aminoalkylenesulfone-triphenedioxazine dyes BAYER AG (DE) 1986-08-13 EP disclosed