SCHEMBL2231822

SCHEMBL2231822

O=C(NCc1ccccn1)c1ccc2ccc(=O)[nH]c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.60
NPC1 O15118 2/20 0.60
POLB P06746 4/20 0.56
LMNA P02545 1/20 0.56
KDM4E B2RXH2 6/20 0.56
ALDH1A1 P00352 5/20 0.56
GAA P10253 3/20 0.56
HTT P42858 2/20 0.56
GLA P06280 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NAMPT P43490 2/20 0.56
L3MBTL1 Q9Y468 3/20 0.55
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
MAPK14 Q16539 1/20 0.53
CA2 P00918 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
HPGD P15428 3/20 0.51
HIF1A Q16665 1/20 0.51

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
SCHEMBL6170531 0.79 RAB9A (0.64) RAB9ANPC1POLBLMNAKDM4E
SCHEMBL5756863 0.79 ITK (0.58) RAB9ANPC1POLBLMNAKDM4E
SCHEMBL6170526 0.77 RAB9A (0.67) RAB9ANPC1POLBLMNAKDM4E
SCHEMBL5408163 0.76 NPC1 (0.60) RAB9ANPC1POLBLMNAKDM4E
SCHEMBL10132645 0.75 KDM4E (0.57) RAB9ANPC1POLBLMNAKDM4E
SCHEMBL13373392 0.75 RAB9A (0.61) RAB9ANPC1POLBLMNAKDM4E
SCHEMBL13947279 0.75 KDM4E (0.79) RAB9ANPC1POLBLMNAKDM4E
SCHEMBL166484 0.74 LMNA (0.82) RAB9ANPC1POLBLMNAKDM4E
SCHEMBL3202800 0.74 RAB9A (0.57) RAB9ANPC1POLBLMNAKDM4E
SCHEMBL14025813 0.74 SLC40A1 (0.66) RAB9ANPC1POLBLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2345642-A1 Secondary 8-hydroxyquinoline-7-carboxamide derivatives for use as antifungal agents POLICHEM S.A. (LU) 2011-07-20 EP claimed