SCHEMBL8980347

SCHEMBL8980347

Nc1ccc2[nH]c(-c3cccc(C(F)(F)F)c3)cc(=O)c2c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.56
ALDH1A1 P00352 5/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
THRB P10828 1/20 0.51
LMNA P02545 5/20 0.50
HPGD P15428 5/20 0.50
KDM4E B2RXH2 5/20 0.50
MAPT P10636 2/20 0.50
KIF11 P52732 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.47
AR P10275 1/20 0.47
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
HSD17B10 Q99714 1/20 0.46
XDH P47989 1/20 0.45

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
SCHEMBL25910973 0.81 TUBB4A (0.53) PDE10AALDH1A1MEN1KMT2ATHRB
SCHEMBL8980204 0.81 PDE10A (0.73) PDE10AALDH1A1MEN1KMT2ALMNA
SCHEMBL8980201 0.80 PDE10A (0.72) PDE10AALDH1A1MEN1KMT2ATHRB
SCHEMBL8980401 0.77 ALDH1A1 (0.66) ALDH1A1MEN1KMT2ATHRBLMNA
SCHEMBL8980306 0.77 NPC1 (0.57) NPC1
SCHEMBL29902942 0.76 TUBB4A (0.74) ALDH1A1MEN1KMT2ATHRBLMNA
SCHEMBL22552101 0.76 TUBB4A (0.74) ALDH1A1MEN1KMT2ATHRBLMNA
SCHEMBL12049289 0.73 KDM4E (0.45) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL2466587 0.72 PIM1 (0.56) KIF11MAPK1
SCHEMBL5074291 0.72 PARP1 (0.60) KDM4EKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5571822-A AMINO-2-PHENYL-4-QUINOLONE DERIVATIVES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-11-05 US disclosed
WO-1996010563-A1 2-ARYL-4-QUINOLONES AS ANTITUMOR COMPOUNDS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-04-11 WO disclosed