SCHEMBL6266752

SCHEMBL6266752

O=C1Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Oc2cccc(O)c21

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CASP3 P42574 1/20 0.45
KDM1A O60341 2/20 0.45
USP2 O75604 1/20 0.45
CREBBP Q92793 1/20 0.45
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 2/20 0.42
RECQL P46063 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL6272881 0.80 ABL1 (0.38) MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6267336 0.77 ABL1 (0.48) MEN1KMT2AMAPTALDH1A1TSHR
SCHEMBL6270867 0.74 SMN1; SMN2 (0.40) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL8333095 0.73 TP53 (0.43) MAPT
SCHEMBL6184354 0.72 AHR (0.40) MEN1KMT2AMAPT
SCHEMBL6273613 0.72 ALOX5 (0.38) MAPT
SCHEMBL531848 0.72 RXFP1 (0.65) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL8333850 0.70 ALOX5 (0.62) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL6535504 0.70 CASP3 (0.79) EGFRCASP3CASP1CASP7
SCHEMBL6256089 0.69 ABL1 (0.41)

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-1583967-A2 METHOD FOR INHIBITING THE REPLICATION OF HERPES VIRUSES Bayer HealthCare AG (DE) 2005-10-12 EP disclosed
WO-2005072741-A1 ((11-OXO-10,11-DIHYDRODIBENZO [B, F] [1, 4] OXAZEPIN-1-YL)OXY) ACETIC ACID DERIVATIVES AND RELATED COMPOUNDS AS CARDIOVASCULAR PREPARATIONS USED TO TREAT ARTERIOLOSCLEROSIS BAYER HEALTHCARE AG (DE) 2005-08-11 WO disclosed
WO-2005072741-A1 ((11-OXO-10,11-DIHYDRODIBENZO [B, F] [1, 4] OXAZEPIN-1-YL)OXY) ACETIC ACID DERIVATIVES AND RELATED COMPOUNDS AS CARDIOVASCULAR PREPARATIONS USED TO TREAT ARTERIOLOSCLEROSIS BAYER HEALTHCARE AG (DE) 2005-08-11 WO disclosed
WO-2004060860-A2 METHOD FOR INHIBITING THE REPLICATION OF HERPES VIRUSES BAYER HEALTHCARE AG (DE) 2004-07-22 WO disclosed