SCHEMBL7684587

SCHEMBL7684587

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.64
MCL1 Q07820 2/20 0.51
ALDH1A1 P00352 5/20 0.51
HPGD P15428 3/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
COMT P21964 5/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 3/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
PKM P14618 1/20 0.45
IDO1 P14902 1/20 0.45
RECQL P46063 1/20 0.45
TDO2 P48775 1/20 0.45

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
SCHEMBL7689196 0.86 KDM4E (0.64) KDM4EMCL1ALDH1A1HPGDCYP3A4
SCHEMBL7787448 0.86 KDM4E (0.64) KDM4EMCL1ALDH1A1HPGDCYP3A4
SCHEMBL7685023 0.78 ALDH1A1 (0.61) KDM4EMCL1ALDH1A1HPGDCYP3A4
SCHEMBL7689814 0.76 COMT (0.57) KDM4EALDH1A1CYP3A4COMTL3MBTL1
SCHEMBL7399750 0.73 ALDH1A1 (0.71) KDM4EALDH1A1HPGDCYP3A4CYP2D6
Bromide SCHEMBL7687716 0.73 ALDH1A1 (0.50) KDM4EALDH1A1CYP3A4CYP2C19COMT
SCHEMBL14919778 0.72 KMT2A (0.56) KDM4EALDH1A1HPGDCYP3A4L3MBTL1
SCHEMBL25435331 0.72 COMT (0.54) KDM4EALDH1A1HPGDCOMTSMN1; SMN2
SCHEMBL17962308 0.71 KDM4E (0.80) KDM4EALDH1A1HPGDCYP3A4CYP2D6
SCHEMBL7959454 0.69 KDM4E (0.57) KDM4EMCL1ALDH1A1HPGDSMN1; SMN2

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 9 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
EP-0927164-A1 8-HYDROXY-7-SUBSTITUTED QUINOLINES AS ANTI-VIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 1999-07-07 EP claimed
WO-1998011073-A1 8-HYDROXY-7-SUBSTITUTED QUINOLINES AS ANTI-VIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 1998-03-19 WO claimed
US-6500842-B1 N-((4-CHLOROPHENYL)METHYL)-8-HYDROXY-7-QUINOLINECARBOXAMIDE ADMINISTERED AS VIRICIDES AGAINST HERPES VIRUS PHARMACIA & UPJOHN COMPANY 2002-12-31 US disclosed
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
EP-0927164-A1 8-HYDROXY-7-SUBSTITUTED QUINOLINES AS ANTI-VIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 1999-07-07 EP disclosed
WO-1998011073-A1 8-HYDROXY-7-SUBSTITUTED QUINOLINES AS ANTI-VIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 1998-03-19 WO disclosed