SCHEMBL9218655

SCHEMBL9218655

Nc1cc(Cl)cc(Cl)c1S(=O)(=O)NCCCCCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
TDP1 Q9NUW8 2/20 0.54
KDM4E B2RXH2 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
MAPK1 P28482 1/20 0.54
CYP2C19 P33261 1/20 0.54
TP53 P04637 1/20 0.52
GAA P10253 1/20 0.52
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.43
PRMT1 Q99873 2/20 0.42
LMNA P02545 2/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NR3C1 P04150 2/20 0.41
NR3C2 P08235 2/20 0.41

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
SCHEMBL9213741 0.99 ALDH1A1 (0.53) ALDH1A1TDP1KDM4ECYP1A2CYP3A4
SCHEMBL9214593 0.95 ALDH1A1 (0.58) ALDH1A1TDP1KDM4ECYP1A2CYP3A4
SCHEMBL3489743 0.90 L3MBTL1 (0.53) ALDH1A1TP53GAAL3MBTL1PRMT1
SCHEMBL9220298 0.87 ALDH1A1 (0.44) ALDH1A1TDP1KDM4ECYP1A2CYP3A4
SCHEMBL9220257 0.86 ALDH1A1 (0.42) ALDH1A1TDP1KDM4ECYP1A2CYP3A4
SCHEMBL9215811 0.82 NR3C1 (0.44) ALDH1A1TDP1KDM4ECYP1A2CYP3A4
SCHEMBL3491178 0.82 LMNA (0.52) ALDH1A1CYP1A2CYP3A4TP53MEN1
SCHEMBL3489059 0.81 CYP3A4 (0.47) TDP1CYP1A2CYP3A4MAPK1CYP2C19
SCHEMBL3490267 0.81 CYP3A4 (0.47) TDP1CYP1A2CYP3A4MAPK1CYP2C19
SCHEMBL3639244 0.80 NR3C1 (0.47) ALDH1A1TDP1KDM4ECYP1A2CYP3A4

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
EP-0636124-A1 3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-1,1-DIOXIDE-3-CARBOXYLIC ACID DERIVATIVES, PREPARATION THEREOF AND DRUGS CONTAINING SAME Aventis Pharma S.A. (FR) 1995-02-01 EP disclosed
WO-1993021170-A1 3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-1,1-DIOXIDE-3-CARBOXYLIC ACID DERIVATIVES, PREPARATION THEREOF AND DRUGS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1993-10-28 WO disclosed