SCHEMBL5606531

SCHEMBL5606531

Nc1cc(Br)cc(C(=O)O)c1S(=O)(=O)c1csc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.40
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
HDAC2 Q92769 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MCL1 Q07820 4/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP2C9 P11712 1/20 0.35
IDO1 P14902 1/20 0.35
MAPT P10636 2/20 0.35

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
SCHEMBL5597963 0.72 CCKBR (0.62) CCKBRALDH1A1MCL1HSD17B10CYP2C9
SCHEMBL5606256 0.69 TSHR (0.47) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL72502 0.65 HDAC3 (0.65) KDM4EHDAC2HDAC3HDAC4HDAC1
SCHEMBL6180052 0.65 METAP2 (0.41) ALDH1A1POLB
SCHEMBL1034849 0.64 CA2 (0.51) KDM4EHDAC2HDAC3HDAC4HDAC1
SCHEMBL2703947 0.64 CYP2A6 (0.47) CCKBRKDM4EHDAC2HDAC3HDAC4
SCHEMBL31287752 0.64 CA2 (0.51) KDM4EHDAC2HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL4254555 0.64 HDAC3 (0.62) KDM4EHDAC2HDAC3HDAC4HDAC1
Bicarbonate SCHEMBL9262624 0.64 HDAC2 (0.49) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL7112980 0.64 ALOX5 (0.40) CCKBRHDAC2HDAC3HDAC4HDAC1

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-1815860-A2 Phosphate transport inhibitors GENZYME CORPORATION (US) 2007-08-08 EP disclosed
EP-1465638-A2 PHOSPHATE TRANSPORT INHIBITORS GENZYME CORPORATION (US) 2004-10-13 EP disclosed
WO-2003057225-A2 PHOSPHATE TRANSPORT INHIBITORS GENZYME CORPORATION (US) 2003-07-17 WO disclosed