SCHEMBL7533306

SCHEMBL7533306

COC(=O)c1cc(NC(=O)c2sccc2NS(=O)(=O)c2ccccc2)ccc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.54
KDM4E B2RXH2 6/20 0.54
MEN1 O00255 6/20 0.54
HSD17B10 Q99714 1/20 0.54
LMNA P02545 5/20 0.53
HPGD P15428 3/20 0.53
TSHR P16473 1/20 0.53
ALDH1A1 P00352 6/20 0.52
HTT P42858 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CRHBP P24387 1/20 0.51
CYP2C19 P33261 1/20 0.51
CRHR2 Q13324 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NOD2 Q9HC29 1/20 0.51
PPARG P37231 1/20 0.50
PPARD Q03181 1/20 0.50
PPARA Q07869 1/20 0.50

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
SCHEMBL7537216 0.87 ALDH1A1 (0.58) KMT2AKDM4EMEN1HSD17B10LMNA
SCHEMBL7538011 0.84 LMNA (0.55) KMT2AKDM4EMEN1LMNAHPGD
SCHEMBL7532088 0.83 CYP2C9 (0.60) KMT2AKDM4EMEN1HSD17B10LMNA
SCHEMBL7533940 0.83 RAB9A (0.56) KMT2AKDM4EMEN1LMNAHPGD
SCHEMBL7531858 0.81 KMT2A (0.55) KMT2AKDM4EMEN1LMNAHPGD
SCHEMBL7537945 0.81 HPGD (0.67) KMT2AKDM4EMEN1HSD17B10LMNA
SCHEMBL7531719 0.81 LMNA (0.55) KMT2AKDM4EMEN1HSD17B10LMNA
SCHEMBL7534407 0.79 LMNA (0.56) KMT2AKDM4EMEN1LMNAHPGD
SCHEMBL532885 0.78 LMNA (0.78) KMT2AMEN1LMNAHPGDTSHR
SCHEMBL7537204 0.78 MAPT (0.51) KMT2AKDM4EMEN1ALDH1A1MAPT

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