SCHEMBL16627591

SCHEMBL16627591

O=C(NCCc1ccc(Br)cc1)c1cc2ccccc2n(C(=O)c2ccc(OC(F)(F)F)cc2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.48
TRPV1 Q8NER1 12/20 0.46
LTA4H P09960 1/20 0.42
EPHX2 P34913 1/20 0.42
SLC6A5 Q9Y345 1/20 0.42
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL16627698 0.82 CNR2 (0.47) NR1H2TRPV1LTA4HEPHX2SLC6A5
SCHEMBL16627590 0.79 NPC1 (0.49) TP53MAPTSMN1; SMN2
SCHEMBL4829684 0.71 KDM4E (0.63) POLBMAPT
SCHEMBL11758798 0.71 TRPV1 (0.76) TRPV1LTA4HEPHX2SMN1; SMN2
SCHEMBL16627697 0.71 CNR2 (0.49) TP53POLBMAPTCNR1CNR2
SCHEMBL7880446 0.70 TRPV1 (0.73) TRPV1LTA4HEPHX2MAPTSMN1; SMN2
SCHEMBL16627833 0.69 TDP1 (0.50) SMN1; SMN2
SCHEMBL5438302 0.68 KMT2A (0.55) TP53POLBMAPT
SCHEMBL16627712 0.67 CNR1 (0.47) EPHX2SMN1; SMN2CNR1CNR2
SCHEMBL27663195 0.67 PLA2G10 (0.48) NR1H2CNR1CNR2

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
WO-2015050379-A1 NOVEL QUINOLINONE DERIVATIVE AND USE THEREOF 광주과학기술원 2015-04-09 WO disclosed