SCHEMBL7686400

SCHEMBL7686400

CC(C)(C)c1ccc2c(Cl)cc(S(=O)(=O)NCc3ccc(Cl)cc3)c(O)c2n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SLC12A2 P55011 1/20 0.42
SLC12A5 Q9H2X9 1/20 0.42
HPGD P15428 1/20 0.41
CYP19A1 P11511 1/20 0.41
GLA P06280 1/20 0.41
POLB P06746 3/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.40
CNR1 P21554 1/20 0.39
NAMPT P43490 1/20 0.39

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
SCHEMBL7691447 0.87 MAPT (0.51) MCL1MEN1KMT2AALDH1A1LMNA
SCHEMBL7691448 0.86 ALDH1A1 (0.44) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL7685023 0.80 ALDH1A1 (0.61) MCL1MEN1KMT2AALDH1A1LMNA
SCHEMBL7689285 0.78 MAPT (0.51) MCL1ALDH1A1LMNAKDM4ESLC12A2
SCHEMBL7690995 0.76 MAPT (0.49) MEN1KMT2AALDH1A1LMNAMAPK1
SCHEMBL7690128 0.75 MCL1 (0.52) MCL1MEN1KMT2ALMNAKDM4E
SCHEMBL7787448 0.72 KDM4E (0.64) MCL1MEN1KMT2AALDH1A1LMNA
SCHEMBL5227323 0.70 CYP19A1 (0.56) MCL1MEN1KMT2AALDH1A1LMNA
SCHEMBL7691072 0.70 KMT2A (0.62) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL7686368 0.69 MAPT (0.55) MCL1MEN1KMT2AMAPT

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 7 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