SCHEMBL7684688

SCHEMBL7684688

O=C(NCCCc1ccccc1)c1ccc2ccc(C=Cc3ccccc3)nc2c1O

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 12/20 0.63
EGLN1 Q9GZT9 2/20 0.55
NPC1 O15118 3/20 0.51
HPGD P15428 2/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HSD17B10 Q99714 1/20 0.51
NLRP1 Q9C000 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 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
SCHEMBL7684674 1.00 PIM1 (0.63) PIM1EGLN1NPC1HPGDALDH1A1
SCHEMBL7691274 0.86 PIM1 (0.62) PIM1
SCHEMBL7691276 0.86 PIM1 (0.62) PIM1
SCHEMBL7690954 0.82 PIM1 (0.62) PIM1NPC1HPGDMAPTSMN1; SMN2
SCHEMBL7690951 0.82 PIM1 (0.62) PIM1NPC1HPGDMAPTSMN1; SMN2
SCHEMBL7689343 0.80 PIM1 (0.62) PIM1EGLN1ALDH1A1
SCHEMBL7689345 0.80 PIM1 (0.62) PIM1EGLN1ALDH1A1
SCHEMBL7690832 0.78 PIM1 (1.00) PIM1
SCHEMBL7690830 0.78 PIM1 (1.00) PIM1
SCHEMBL2292957 0.78 EGLN1 (0.86) EGLN1NPC1HPGDALDH1A1MAPT

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
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-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