SCHEMBL7686853

SCHEMBL7686853

O=S(=O)(NCCSc1ccccc1)c1cc(Cl)c2ccc(C=Cc3ccccc3)nc2c1O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 7/20 0.39
MAPT P10636 4/20 0.39
TSHR P16473 2/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 1/20 0.38
PIM1 P11309 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7686849 1.00 MEN1 (0.39) MEN1KMT2AALDH1A1MAPTTSHR
SCHEMBL7686867 0.85 MAPT (0.46) MEN1KMT2AALDH1A1MAPTTSHR
SCHEMBL28787381 0.72 MMP14 (0.49) MEN1KMT2AALDH1A1TSHRPIM1
SCHEMBL8311550 0.70 MAPT (0.49) ALDH1A1MAPTGAAHTTSMN1; SMN2
SCHEMBL7685938 0.69 MAPT (0.46) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL7690951 0.69 PIM1 (0.62) MEN1KMT2AMAPTPIM1CYP1A2
SCHEMBL7690954 0.69 PIM1 (0.62) MEN1KMT2AMAPTPIM1CYP1A2
SCHEMBL7691423 0.68 TDP1 (0.50) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL7686834 0.67 ALDH1A1 (0.52) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL7689285 0.67 MAPT (0.51) ALDH1A1MAPTGAACYP1A2LMNA

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