SCHEMBL7534995

SCHEMBL7534995

CCCCOC(=O)c1ccc(NC(=O)c2sccc2NS(=O)(=O)c2ccccc2)cc1.CCOC(=O)Cc1ccc(NC(=O)c2sccc2NS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
MAPT P10636 7/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
TP53 P04637 4/20 0.46
ALDH1A1 P00352 6/20 0.44
LMNA P02545 4/20 0.44
KDM4E B2RXH2 2/20 0.44
HTT P42858 2/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CRHBP P24387 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
CRHR2 Q13324 1/20 0.44
NOD2 Q9HC29 1/20 0.44
MAPK1 P28482 1/20 0.44
PKM P14618 2/20 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
SCHEMBL7537015 0.84 SMN1; SMN2 (0.53) MAPTSMN1; SMN2TP53ALDH1A1LMNA
SCHEMBL7537235 0.81 ALDH1A1 (0.53) POLBMAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL7539015 0.81 LMNA (0.55) MAPTSMN1; SMN2TP53LMNAHTT
SCHEMBL7537349 0.79 LMNA (0.53) MAPTSMN1; SMN2TP53LMNAHPGD
SCHEMBL7533552 0.77 NR1H3 (0.57) POLBMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL11455802 0.72 ALDH1A1 (0.73) MAPTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL7533715 0.72 LMNA (0.52) POLBMAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL7534437 0.72 KMT2A (0.47) SMN1; SMN2TP53ALDH1A1LMNAKDM4E
SCHEMBL7531331 0.72 DHODH (0.55) POLBMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL7530855 0.72 KMT2A (0.49) SMN1; SMN2TP53ALDH1A1LMNAKDM4E

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