SCHEMBL3362899

SCHEMBL3362899

CN(c1ccc(OCCCCCCBr)cc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
CACNA1H O95180 2/20 0.49
CACNA1B Q00975 2/20 0.49
SERPINE1 P05121 2/20 0.46
PTPN1 P18031 1/20 0.46
HPGD P15428 2/20 0.45
NR1H3 Q13133 4/20 0.44
NR1H2 P55055 3/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL3368514 0.99 L3MBTL1 (0.51) L3MBTL1CACNA1HCACNA1BSERPINE1PTPN1
SCHEMBL3366991 0.88 CACNA1B (0.60) L3MBTL1CACNA1HCACNA1BSERPINE1PTPN1
SCHEMBL3365715 0.88 LSS (0.54) L3MBTL1CACNA1HCACNA1BSERPINE1
SCHEMBL3365881 0.87 CACNA1B (0.61) L3MBTL1CACNA1HCACNA1BSERPINE1PTPN1
SCHEMBL3368253 0.87 FFAR1 (0.57) L3MBTL1CACNA1HCACNA1BHPGDTDP1
SCHEMBL3365014 0.86 LSS (0.53) L3MBTL1CACNA1HCACNA1BSERPINE1PTPN1
SCHEMBL3365815 0.85 L3MBTL1 (0.54) L3MBTL1HPGDTDP1FFAR1MMP9
SCHEMBL3366887 0.85 CACNA1H (0.49) L3MBTL1CACNA1HCACNA1BSERPINE1PTPN1
SCHEMBL3368206 0.85 CACNA1H (0.49) L3MBTL1CACNA1HCACNA1BSERPINE1PTPN1
SCHEMBL3363429 0.85 LSS (0.49) L3MBTL1CACNA1HCACNA1BSERPINE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303503-B1 ANILINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-01-27 EP disclosed
US-6683201-B2 FOR THERAPY AND PROPHYLAXIS OF HYPERCHOLESTEROLEMIA, HYPERLIPEMIA, ARTERIOSCLEROSIS, VASCULAR DISEASES, MYCOSES, PARASITE INFECTIONS, GALLSTONES, TUMORS AND/OR HYPERPROLIFERATIVE DISORDERS, DIABETES HOFFMANN-LA ROCHE INC. 2004-01-27 US disclosed
EP-1303503-A2 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
WO-2002006189-A2 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 WO disclosed