SCHEMBL6958953

SCHEMBL6958953

Cc1ccccc1NCc1ccc2cc(C=O)cnc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 2/20 0.45
SCD O00767 3/20 0.42
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
ALPG P10696 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
KDR P35968 3/20 0.39
FAAH O00519 1/20 0.37
HTT P42858 1/20 0.36
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FLT1 P17948 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL6958325 0.81 ADRA2C (0.46) ADRA2CSCDMAPTGAAMEN1
SCHEMBL6960815 0.81 HPGDS (0.47) ADRA2CSCDHDAC8KDRHTT
SCHEMBL6956103 0.79 MAOA (0.48) MAPTGAAHDAC8NPC1RAB9A
SCHEMBL8824957 0.74 SCD (0.39) ADRA2CSCDMAPTGAAMEN1
SCHEMBL8824925 0.74 GAA (0.38) ADRA2CSCDMAPTGAAMEN1
SCHEMBL8825048 0.73 GSK3A (0.43) ADRA2CSCDMAPTGAAMEN1
SCHEMBL6964870 0.73 ALDH1A1 (0.44) SCDALDH1A1
SCHEMBL18033717 0.71 PDGFRB (0.37) MAPTGAAMEN1KMT2AHDAC8
SCHEMBL6958945 0.71 CRHBP (0.42) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL554880 0.71 ALDH1A1 (0.50) GAAKMT2ARAB9AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0787725-B1 QUINOLINE DERIVATIVE NIPPON CHEMIPHAR CO (JP) 2003-04-23 EP disclosed
US-5693651-A HYPOGLYCEMIC AGENTS NIPPON CHEMIPHAR CO., LTD. (JP) 1997-12-02 US disclosed
EP-0787725-A1 QUINOLINE DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 1997-08-06 EP disclosed