SCHEMBL16627873

SCHEMBL16627873

O=c1[nH]c2ccccc2cc1NCc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 5/20 0.46
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CDC25B P30305 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
POLB P06746 1/20 0.43
FABP4 P15090 2/20 0.43

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
SCHEMBL16627872 0.86 CNR1 (0.52) MAPTL3MBTL1CDC25BMEN1KMT2A
SCHEMBL16627870 0.86 DRD2 (0.45) MAPTL3MBTL1CDC25BMEN1KMT2A
SCHEMBL16627871 0.86 KDM4E (0.47) MAPTCDC25BKDM4EALDH1A1HPGD
SCHEMBL16627733 0.84 MAPT (0.45) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL14980579 0.81 KDM4E (0.50) MAPTL3MBTL1CDC25BMEN1KMT2A
SCHEMBL16627734 0.77 MEN1 (0.58) L3MBTL1MEN1KMT2AKDM4EALDH1A1
SCHEMBL34468745 0.76 KMT2A (0.65) L3MBTL1MEN1KMT2AKDM4EALDH1A1
SCHEMBL16627856 0.76 BRD4 (0.54) MAPTKDM4EALDH1A1HPGDCYP1A2
SCHEMBL7809286 0.75 LMNA (0.52) CDC25BMEN1KMT2AKDM4EALDH1A1
SCHEMBL1367650 0.74 IL4I1 (0.49) IDH1MAPTMEN1KMT2AKDM4E

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