SCHEMBL7685010

SCHEMBL7685010

COc1c(S(=O)(=O)NCc2ccc(Cl)cc2)cc(Cl)c2cccnc12

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
HPGD P15428 3/20 0.60
KDM4E B2RXH2 3/20 0.60
LMNA P02545 3/20 0.52
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.45
POLB P06746 2/20 0.44
CNR1 P21554 2/20 0.44
MCL1 Q07820 1/20 0.43
TP53 P04637 1/20 0.43
SLC40A1 Q9NP59 1/20 0.43

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 0.86 ALDH1A1 (0.61) ALDH1A1HPGDKDM4ELMNACYP3A4
SCHEMBL7688576 0.84 KMT2A (0.55) ALDH1A1SMN1; SMN2HTTKMT2APOLB
SCHEMBL7691448 0.81 ALDH1A1 (0.44) ALDH1A1HPGDKDM4ELMNASMN1; SMN2
SCHEMBL14919775 0.81 ALDH1A1 (0.82) ALDH1A1HPGDKDM4ELMNACYP3A4
SCHEMBL7684993 0.81 ALDH1A1 (0.48) ALDH1A1HPGDKDM4ECYP3A4CYP2C19
SCHEMBL7787448 0.78 KDM4E (0.64) ALDH1A1HPGDKDM4ELMNACYP3A4
SCHEMBL7691072 0.75 KMT2A (0.62) ALDH1A1HPGDKDM4ELMNACYP3A4
SCHEMBL7693657 0.73 SMN1; SMN2 (0.45) ALDH1A1HPGDKDM4ELMNACYP2C19
SCHEMBL10086618 0.70 HIF1A (0.60) ALDH1A1HPGDKDM4ELMNACYP3A4
SCHEMBL7691447 0.70 MAPT (0.51) ALDH1A1HPGDKDM4ELMNASMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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