SCHEMBL7689196

SCHEMBL7689196

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.64
MCL1 Q07820 1/20 0.51
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
TP53 P04637 1/20 0.50
HSP90AA1 P07900 1/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP2C19 P33261 2/20 0.49
CYP1A2 P05177 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
COMT P21964 1/20 0.48
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
LMNA P02545 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL7787448 0.86 KDM4E (0.64) KDM4EMCL1KMT2ASMN1; SMN2MEN1
SCHEMBL7684587 0.86 KDM4E (0.64) KDM4EMCL1KMT2ASMN1; SMN2MEN1
SCHEMBL7685023 0.78 ALDH1A1 (0.61) KDM4EMCL1KMT2ASMN1; SMN2MEN1
SCHEMBL7399750 0.73 ALDH1A1 (0.71) KDM4EKMT2ASMN1; SMN2MEN1USP2
Bromide SCHEMBL7687716 0.73 ALDH1A1 (0.50) KDM4EKMT2ASMN1; SMN2MEN1TP53
SCHEMBL14919778 0.72 KMT2A (0.56) KDM4EKMT2ASMN1; SMN2MEN1HTT
SCHEMBL17962308 0.71 KDM4E (0.80) KDM4EKMT2ASMN1; SMN2MEN1HTT
SCHEMBL13251657 0.70 NSD2 (0.62) KDM4EMCL1KMT2ATP53CYP2C19
SCHEMBL7959454 0.69 KDM4E (0.57) KDM4EMCL1KMT2ASMN1; SMN2MAPT
SCHEMBL28885334 0.69 KMT2A (0.68) KDM4EKMT2ATP53CYP2C19CYP1A2

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