SCHEMBL7787448

SCHEMBL7787448

O=S(=O)(NCc1ccccc1)c1cc(Cl)c2cccnc2c1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.64
L3MBTL1 Q9Y468 1/20 0.52
MCL1 Q07820 3/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
ADAMTS5 Q9UNA0 3/20 0.50
LMNA P02545 2/20 0.50
MMP14 P50281 2/20 0.50
MMP9 P14780 2/20 0.50
HSP90AA1 P07900 2/20 0.50
MEN1 O00255 1/20 0.50
ALOX15B O15296 1/20 0.50
NR1I2 O75469 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
HTR1A P08908 1/20 0.50
ALOX5 P09917 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 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
SCHEMBL7685023 0.92 ALDH1A1 (0.61) KDM4EL3MBTL1MCL1ALDH1A1HPGD
SCHEMBL7684587 0.86 KDM4E (0.64) KDM4EL3MBTL1MCL1ALDH1A1HPGD
SCHEMBL7689196 0.86 KDM4E (0.64) KDM4EMCL1ALDH1A1HPGDLMNA
Bromide SCHEMBL7687716 0.86 ALDH1A1 (0.50) KDM4EL3MBTL1ALDH1A1LMNAMMP14
SCHEMBL7689285 0.83 MAPT (0.51) KDM4EL3MBTL1MCL1ALDH1A1LMNA
SCHEMBL7691072 0.81 KMT2A (0.62) KDM4EL3MBTL1ALDH1A1HPGDLMNA
SCHEMBL7685010 0.78 ALDH1A1 (0.60) KDM4EMCL1ALDH1A1HPGDLMNA
SCHEMBL10908982 0.77 MEN1 (0.64) KDM4EL3MBTL1ALDH1A1HPGDLMNA
SCHEMBL7683302 0.76 MEN1 (0.58) KDM4EL3MBTL1MCL1ALDH1A1HPGD
SCHEMBL4066967 0.76 EGLN1 (0.66) KDM4EL3MBTL1ALDH1A1ADAMTS5LMNA

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
US-6211376-B1 HERPES VIRUS, CYTOMEGALO VIRUS, VARICELLA-ZOSTER VIRUS,EPSTEIN-BARR VIRUS PHARMACIA & UPJOHN COMPANY 2001-04-03 US claimed
US-6310211-B1 ANTI-VIRAL ACTIVITY AGAINST HERPES VIRUS, CYTOMEGALOVIRUS. MANY OF THESE COMPOUNDS ARE ALSO ACTIVE AGAINST VARICELLA ZOSTER VIRUS, EPSTEIN-BARR VIRUS, HERPES SIMPLEX VIRUS AND HUMAN HERPES VIRUS TYPE 8 PHARMACIA & UPJOHN COMPANY 2001-10-30 US disclosed
US-6252080-B1 HERPES, CYTOMEGALO VIRUS PHARMACIA & UPJOHN COMPANY 2001-06-26 US disclosed
US-6211376-B1 HERPES VIRUS, CYTOMEGALO VIRUS, VARICELLA-ZOSTER VIRUS,EPSTEIN-BARR VIRUS PHARMACIA & UPJOHN COMPANY 2001-04-03 US disclosed