SCHEMBL7537213

SCHEMBL7537213

CC(=O)c1cccc(N)c1.O=C(O)c1sccc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACLY P53396 2/20 0.53
NPSR1 Q6W5P4 3/20 0.48
NRP1 O14786 1/20 0.47
HTR6 P50406 1/20 0.45
POLB P06746 1/20 0.45
TSHR P16473 2/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
KDM4E B2RXH2 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
PTK2B Q14289 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
ALDH1A1 P00352 1/20 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
SCHEMBL7537207 0.89 ACLY (0.53) ACLYNPSR1POLBTSHRLMNA
SCHEMBL532975 0.82 ACLY (0.69) ACLYNPSR1TSHRLMNAHPGD
SCHEMBL7537211 0.81 KMT2A (0.55) ACLYNPSR1POLBHPGDMEN1
Hydrochloric Acid SCHEMBL533067 0.81 ACLY (0.68) ACLYNPSR1TSHRLMNAHPGD
SCHEMBL7532552 0.79 ACLY (0.49) ACLYNRP1HTR6POLBTSHR
SCHEMBL7537977 0.78 ACLY (0.52) ACLYNPSR1NRP1TSHRLMNA
SCHEMBL27999984 0.77 ACLY (0.57) ACLYNPSR1TSHRLMNAHPGD
SCHEMBL7532977 0.77 ACLY (0.49) ACLYNPSR1NRP1TSHRLMNA
SCHEMBL7537381 0.77 ALDH1A1 (0.53) ACLYNPSR1NRP1TSHRLMNA
SCHEMBL2748793 0.77 ACLY (0.62) ACLYNPSR1

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
WO-2002028353-A2 PHOSPHATE TRANSPORT INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-11 WO claimed
WO-2002028353-A2 PHOSPHATE TRANSPORT INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-11 WO disclosed