SCHEMBL17318014

SCHEMBL17318014

O=c1[nH]ccc2[nH]c3cc(-c4ccccc4)sc3c(=O)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.49
FEN1 P39748 1/20 0.49
RAB9A P51151 6/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
MAPT P10636 4/20 0.45
NPC1 O15118 4/20 0.45
PTP4A3 O75365 3/20 0.44
PTP4A2 Q12974 2/20 0.44
PTP4A1 Q93096 2/20 0.44
CDC7 O00311 1/20 0.43
DBF4 Q9UBU7 1/20 0.43
KCNH2 Q12809 1/20 0.42
ALDH1A1 P00352 5/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 4/20 0.38
GAA P10253 2/20 0.38
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
NOTUM Q6P988 1/20 0.35

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
SCHEMBL6004269 0.73 ERCC5 (0.49) ERCC5FEN1RAB9ASMN1; SMN2MAPT
SCHEMBL1523074 0.68 ERCC5 (0.54) ERCC5FEN1RAB9ASMN1; SMN2MAPT
SCHEMBL4515919 0.67 RAB9A (0.55) RAB9ASMN1; SMN2MAPTNPC1PTP4A3
SCHEMBL21442180 0.67 ERCC5 (0.49) ERCC5FEN1RAB9ASMN1; SMN2MAPT
SCHEMBL4902650 0.67 MCL1 (0.46) ERCC5FEN1RAB9ASMN1; SMN2MAPT
SCHEMBL9098195 0.66 ERCC5 (0.48) ERCC5FEN1RAB9ASMN1; SMN2MAPT
SCHEMBL1884360 0.66 FEN1 (1.00) ERCC5FEN1RAB9ASMN1; SMN2MAPT
SCHEMBL16900745 0.66 CDK4 (0.47) ERCC5FEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL798414 0.65 ALDH1A1 (0.52) SMN1; SMN2MAPTALDH1A1LMNAHPGD
SCHEMBL3936506 0.62 RAB9A (1.00) ERCC5FEN1RAB9ASMN1; SMN2MAPT

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
EP-3152209-A1 NAPHTHYRIDINEDIONE DERIVATIVES Novartis AG (CH) 2017-04-12 EP disclosed
WO-2015186063-A1 NAPHTHYRIDINEDIONE DERIVATIVES NOVARTIS AG (CH) 2015-12-10 WO disclosed