SCHEMBL16627787

SCHEMBL16627787

CCC(=O)Nc1cccc2[nH]c(=O)c(C(=O)N(CC)c3ccccc3)cc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 2/20 0.47
ALDH1A1 P00352 2/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
KDM4E B2RXH2 4/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KMT2A Q03164 4/20 0.40
HPGD P15428 3/20 0.40
MEN1 O00255 3/20 0.40
CYP2C9 P11712 1/20 0.40
PDE10A Q9Y233 1/20 0.40
MAPK1 P28482 1/20 0.39
TSHR P16473 1/20 0.39
OXTR P30559 1/20 0.39
GPR35 Q9HC97 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
SCHEMBL16627783 0.93 PARP14 (0.47) PARP14ALDH1A1TP53SMN1; SMN2RAB9A
SCHEMBL16627896 0.83 PARP1 (0.40) PARP14ALDH1A1TP53SMN1; SMN2RAB9A
SCHEMBL16627784 0.82 ALDH1A1 (0.46) PARP14ALDH1A1KDM4ENPSR1RXFP1
SCHEMBL16627626 0.81 MAPT (0.47) PARP14ALDH1A1TP53RAB9ANPC1
SCHEMBL15200885 0.81 TP53 (0.44) ALDH1A1TP53SMN1; SMN2RAB9ANPC1
SCHEMBL16627777 0.78 SMN1; SMN2 (0.58) ALDH1A1TP53SMN1; SMN2RAB9ANPC1
SCHEMBL16627845 0.71 KDM4E (0.39) PARP14ALDH1A1TP53KDM4ENPSR1
SCHEMBL16627596 0.71 KMT2A (0.52) ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL16627718 0.71 MEN1 (0.64) ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL16627616 0.70 PARP1 (0.53) PARP14ALDH1A1TP53RAB9ANPC1

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