SCHEMBL9836721

SCHEMBL9836721

Cc1cc(C)c(S(=O)(=O)O)cc1S(C)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.45
TP53 P04637 1/20 0.42
CREBBP Q92793 1/20 0.42
ALDH1A1 P00352 2/20 0.42
CASR P41180 1/20 0.38
SLC9A1 P19634 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.36
POLB P06746 1/20 0.35
RECQL P46063 1/20 0.35
ESR2 Q92731 1/20 0.35
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MYC P01106 1/20 0.33

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
SCHEMBL12565355 0.93 BRD4 (0.47) BRD4L3MBTL1TP53CREBBPALDH1A1
SCHEMBL3395151 0.91 BRD4 (0.52) BRD4L3MBTL1TP53CREBBPALDH1A1
SCHEMBL2862138 0.83 BRD4 (0.50) BRD4L3MBTL1TP53CREBBPALDH1A1
SCHEMBL8469963 0.83 BRD4 (0.48) BRD4L3MBTL1TP53CREBBPALDH1A1
SCHEMBL10638611 0.81 BRD4 (0.49) BRD4L3MBTL1TP53CREBBPALDH1A1
SCHEMBL15478488 0.80 RAPGEF4 (0.52) L3MBTL1ALDH1A1SLC9A1RAPGEF4POLB
SCHEMBL5806163 0.77 BRD4 (0.46) BRD4TP53CREBBPALDH1A1CASR
Ammonia Solution, Strong SCHEMBL28070714 0.76 BRD4 (0.45) BRD4TP53CREBBPALDH1A1CASR
SCHEMBL11872546 0.76 BRD4 (0.41) BRD4TP53CREBBPALDH1A1CASR
SCHEMBL1755154 0.76 BRD4 (0.49) BRD4L3MBTL1TP53CREBBPALDH1A1

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
JP-3161469-A None JP disclosed
JP-H03161469-A PRODUCTION OF 2-CHLORO-4-METHANE SULFONYL-M-XYLENE NISSAN CHEM IND LTD 1991-07-11 JP disclosed