SCHEMBL9387635

SCHEMBL9387635

Nc1ccc2cc(N3CCCC3)c(=O)[nH]c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
THRB P10828 2/20 0.44
ALOX15 P16050 2/20 0.44
KDM4E B2RXH2 2/20 0.44
GFER P55789 1/20 0.44
YWHAG P61981 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 2/20 0.44
NR4A1 P22736 1/20 0.44
PTK2B Q14289 1/20 0.44
HTT P42858 2/20 0.43
HRH4 Q9H3N8 1/20 0.43
PARP1 P09874 3/20 0.41
KDM4C Q9H3R0 1/20 0.41
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL3598758 0.87 MAPT (0.50) POLBMAPTMEN1KMT2AKDM4E
SCHEMBL4543934 0.80 BRD4 (0.50) MAPTKDM4EHRH4KDM4CKEAP1
SCHEMBL6582983 0.78 BRD4 (0.49) ALDH1A1MAPTKDM4EHSD17B10KDM4C
SCHEMBL9686105 0.76 BRD4 (0.50) ALDH1A1MAPTKDM4EHRH4KDM4C
SCHEMBL3599361 0.75 MAPT (0.50) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL1709827 0.70 BRD4 (0.59) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL1082894 0.70 MAPK1 (0.51) ALDH1A1POLBMAPTGAAPARP1
SCHEMBL3598756 0.70 MAPK1 (0.43) ALDH1A1POLBMEN1KMT2AALOX15
SCHEMBL1286631 0.69 CA12 (0.54) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL1082682 0.69 MAPK1 (0.53) ALDH1A1MAPTPARP1MAPK1KCNH2

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-0304087-B1 Quinolone and naphthyridine antibacterial agents containing an alpha-amino acid in the side chain of the 7-substituent WARNER LAMBERT CO (US) 1994-03-30 EP disclosed
US-4851418-A Naphthyridine antibacterial agents containing an α-amino acid in the side chain of the 7-substituent WARNER-LAMBERT COMPANY (US) 1989-07-25 US disclosed
EP-0304087-A2 Quinolone and naphthyridine antibacterial agents containing an alpha-amino acid in the side chain of the 7-substituent WARNER-LAMBERT COMPANY (US) 1989-02-22 EP disclosed