SCHEMBL3858305

SCHEMBL3858305

N#Cc1ccc2ccc(C=Cc3ccc(O)c(O)c3)nc2c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 12/20 0.62
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ HSP90AA1 P07900 1/20 0.48
▸ CLK1 P49759 1/20 0.46
▸ DYRK2 Q92630 1/20 0.46
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ OPRK1 P41145 1/20 0.45
▸ LCK P06239 1/20 0.45
▸ CD74 P04233 1/20 0.44
▸ MIF P14174 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TLR9 Q9NR96 1/20 0.42

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
SCHEMBL7243809 0.76 PIM1 (1.00) PIM1CLK1DYRK2
SCHEMBL29696854 0.76 PIM1 (1.00) PIM1CLK1DYRK2
SCHEMBL14115819 0.76 PIM1 (1.00) PIM1CLK1DYRK2
SCHEMBL3854732 0.76 MEN1 (0.77) PIM1MEN1KMT2AHSP90AA1NPC1
SCHEMBL31653956 0.71 PIM1 (0.71) PIM1CLK1DYRK2
SCHEMBL4936010 0.70 PIM1 (0.57) PIM1MEN1KMT2ACLK1DYRK2
SCHEMBL18372232 0.69 GAA (0.57) PIM1MEN1KMT2AHSP90AA1CLK1
SCHEMBL7250191 0.69 PIM1 (0.33) PIM1
SCHEMBL12866125 0.69 RAB9A (0.69) PIM1MEN1KMT2AHSP90AA1NPC1
SCHEMBL3860498 0.69 RAB9A (0.69) PIM1MEN1KMT2AHSP90AA1NPC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6670377-B1 Inhibitory properties of human immunodeficiency virus integrase CENTRE NATIONAL DE LA RECHERCHE (FR) 2003-12-30 — — US claimed
EP-0975597-B1 QUINOLINE DERIVATIVES, HAVING IN PARTICULAR ANTIVIRAL PROPERTIES, PREPARATION AND BIOLOGICAL APPLICATIONS THEREOF CENTRE NAT RECH SCIENT (FR) 2009-09-02 — — EP disclosed
US-6670377-B1 Inhibitory properties of human immunodeficiency virus integrase CENTRE NATIONAL DE LA RECHERCHE (FR) 2003-12-30 — — US disclosed
EP-0975597-A1 QUINOLINE DERIVATIVES, HAVING IN PARTICULAR ANTIVIRAL PROPERTIES, PREPARATION AND BIOLOGICAL APPLICATIONS THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2000-02-02 — — EP disclosed
WO-1998045269-A1 QUINOLINE DERIVATIVES, HAVING IN PARTICULAR ANTIVIRAL PROPERTIES, PREPARATION AND BIOLOGICAL APPLICATIONS THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1998-10-15 — — WO disclosed
Send feedback