SCHEMBL9214593

SCHEMBL9214593

Nc1cc(Cl)cc(Cl)c1S(=O)(=O)NCCCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
TP53 P04637 1/20 0.58
GAA P10253 1/20 0.58
POLB P06746 2/20 0.48
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
PRMT1 Q99873 3/20 0.44
NR3C1 P04150 2/20 0.43
NR3C2 P08235 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NSD2 O96028 1/20 0.42
PGR P06401 1/20 0.42

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 0.96 ALDH1A1 (0.53) ALDH1A1TP53GAAPOLBTDP1
SCHEMBL9218655 0.95 ALDH1A1 (0.54) ALDH1A1TP53GAAPOLBTDP1
SCHEMBL3489743 0.92 L3MBTL1 (0.53) ALDH1A1TP53GAAL3MBTL1PRMT1
SCHEMBL9220298 0.84 ALDH1A1 (0.44) ALDH1A1TP53GAAPOLBTDP1
SCHEMBL3491178 0.84 LMNA (0.52) ALDH1A1TP53POLBCYP1A2CYP3A4
SCHEMBL3489037 0.84 L3MBTL1 (0.41) ALDH1A1TP53GAATDP1CYP3A4
SCHEMBL9220257 0.83 ALDH1A1 (0.42) ALDH1A1TP53GAATDP1KDM4E
SCHEMBL9215811 0.80 NR3C1 (0.44) ALDH1A1TP53GAATDP1KDM4E
SCHEMBL3490280 0.80 NR3C1 (0.42) ALDH1A1TP53GAAPOLBTDP1
SCHEMBL9214078 0.79 ALDH1A1 (0.49) ALDH1A1GAACYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0636133-A1 SUBSTITUTED 3-PYRROLIDINYLTHIO-CARBAPENEMS AS ANTIMICROBIAL AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-02-01 EP disclosed
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