SCHEMBL4040914

SCHEMBL4040914

Oc1cccc2ccc(CNCc3cccs3)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
KDM4E B2RXH2 3/20 0.45
NPC1 O15118 2/20 0.45
MAPT P10636 2/20 0.45
RAB9A P51151 2/20 0.45
AGTR1 P30556 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GRIN2B Q13224 1/20 0.42
LMNA P02545 2/20 0.41
HSD17B10 Q99714 2/20 0.41
POLB P06746 2/20 0.40
GAA P10253 1/20 0.40
METAP2 P50579 1/20 0.40
PLAU P00749 1/20 0.40
NCF1 P14598 1/20 0.40
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
L3MBTL1 Q9Y468 2/20 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
SCHEMBL9471806 0.79 METAP2 (0.49) KMT2AKDM4ENPC1RAB9AHTT
SCHEMBL2571232 0.78 KDM4E (0.45) KMT2AMEN1KDM4ENPC1MAPT
SCHEMBL19622955 0.77 CA12 (0.46) KMT2AKDM4ENPC1RAB9AHTT
SCHEMBL8344444 0.75 KDM4E (0.52) KMT2AMEN1KDM4ENPC1MAPT
SCHEMBL7562315 0.73 KMT2A (0.50) KMT2AMEN1KDM4ENPC1MAPT
SCHEMBL12593364 0.73 METAP2 (0.49) KMT2AMEN1KDM4ENPC1MAPT
SCHEMBL3159042 0.72 LMNA (0.68) KMT2AMEN1TDP1LMNAPOLB
SCHEMBL8344371 0.71 NPSR1 (0.63) KMT2AKDM4EMAPTHSD17B10METAP2
SCHEMBL4450076 0.71 PLAU (0.47) KMT2AMEN1KDM4ENPC1MAPT
SCHEMBL12834058 0.71 KDM4E (0.50) KMT2AMEN1KDM4ENPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101611009-A Quinoline derivatives CHRONOGEN INC (US) 2009-12-23 CN claimed
CN-101611009-A Quinoline derivatives CHRONOGEN INC (US) 2009-12-23 CN disclosed
EP-2079699-A1 QUINOLINE DERIVATIVES Envivo Pharmaceuticals, Inc. (US) 2009-07-22 EP disclosed
WO-2008014602-A1 QUINOLINE DERIVATIVES ENVIVO PHARMACEUTICALS, INC. (US) 2008-02-07 WO disclosed