SCHEMBL16627759

SCHEMBL16627759

CCc1ccc(NC(=O)c2cc3c(NC(=O)Cc4ccc(Br)cc4)cccc3n(CC)c2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.47
P2RX7 Q99572 2/20 0.47
MAPT P10636 3/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 9/20 0.43
KMT2A Q03164 9/20 0.43
POLB P06746 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.43
RORC P51449 1/20 0.42
MAPK1 P28482 1/20 0.41
BLM P54132 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL16627823 0.85 NPY5R (0.47) NPY5RP2RX7MAPTMEN1KMT2A
SCHEMBL16627665 0.85 SMN1; SMN2 (0.51) NPY5RP2RX7MEN1KMT2ASMN1; SMN2
SCHEMBL16627681 0.83 NPY5R (0.45) NPY5RP2RX7MAPTMEN1KMT2A
SCHEMBL16627877 0.81 MAPT (0.47) P2RX7MAPTMEN1KMT2APOLB
SCHEMBL16627880 0.74 HDAC1 (0.47) P2RX7MAPTMEN1KMT2APOLB
SCHEMBL16627650 0.74 AHR (0.56) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL16627691 0.73 AHR (0.42) RAB9AMEN1KMT2APOLBNPC1
SCHEMBL16627588 0.71 AHR (0.41) NPY5RP2RX7RAB9AMEN1KMT2A
SCHEMBL16627754 0.70 RAB9A (0.49) P2RX7MAPTRAB9AMEN1KMT2A
SCHEMBL16627692 0.70 CNR1 (0.39) NPY5RP2RX7

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