SCHEMBL6575803

SCHEMBL6575803

CS(=O)(=O)c1cc(C(=C(Br)Br)c2ccc(Cl)cc2)ccc1Cl.CS(=O)(=O)c1cc(C(=C(Cl)Cl)c2ccc(Cl)cc2)ccc1Cl.CS(=O)(=O)c1cc(C(c2ccc(Cl)cc2)C(Cl)Cl)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.35
MAPK1 P28482 4/20 0.35
HIF1A Q16665 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
CYP3A4 P08684 2/20 0.35
ATM Q13315 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CNR2 P34972 2/20 0.33
BRD4 O60885 1/20 0.32
KDM4E B2RXH2 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTT P42858 1/20 0.31
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
NR1I2 O75469 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
SCHEMBL5865252 0.83 SMN1; SMN2 (0.40) TSHRMAPK1TDP1L3MBTL1KDM4E
SCHEMBL5865511 0.82 L3MBTL1 (0.53) TSHRMAPK1TDP1CYP3A4ATM
SCHEMBL5865399 0.82 TSHR (0.53) TSHRMAPK1HIF1ATDP1CYP3A4
SCHEMBL5865564 0.74 MAPT (0.43) TSHRMAPK1TDP1CYP3A4ATM
SCHEMBL5865494 0.72 TSHR (0.50) TSHRMAPK1CYP3A4ATML3MBTL1
SCHEMBL5865629 0.71 MAPK1 (0.53) TSHRMAPK1CYP3A4ATML3MBTL1
SCHEMBL5865539 0.69 MAPK1 (0.50) TSHRMAPK1CYP3A4ATML3MBTL1
SCHEMBL5865619 0.64 CCR2 (0.41) TSHRMAPK1CYP3A4ATML3MBTL1
SCHEMBL27397701 0.64 SMN1; SMN2 (0.40) TSHRCYP3A4L3MBTL1KDM4ECA1
SCHEMBL19157375 0.64 SMN1; SMN2 (0.46) TSHRTDP1L3MBTL1CA1CA2

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-1412311-A1 NOVEL TREATMENT OF ADRENOCORTICAL HYPERSECRETION AND TUMOUR GROWTH Brandt, Ingvar (SE) 2004-04-28 EP disclosed
WO-2003002495-A1 NOVEL TREATMENT OF ADRENOCORTICAL HYPERSECRETION AND TUMOUR GROWTH BRANDT INGVAR (SE) 2003-01-09 WO disclosed