SCHEMBL10691713

SCHEMBL10691713

COc1ccccc1-c1ccc2ccc(N)nc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.54
HSP90AA1 P07900 2/20 0.50
HSP90AB1 P08238 1/20 0.49
MCHR1 Q99705 1/20 0.49
APP P05067 1/20 0.46
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 2/20 0.44
GAA P10253 2/20 0.44
METAP2 P50579 1/20 0.43
ADORA2A P29274 3/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
KDM4E B2RXH2 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ATP4A P20648 1/20 0.42
ATP4B P51164 1/20 0.42
MAOA P21397 1/20 0.41

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
SCHEMBL3364095 0.80 HSP90AA1 (0.55) PTPN1HSP90AA1HSP90AB1MCHR1APP
SCHEMBL16835860 0.77 RAB9A (0.52) PTPN1HSP90AA1HSP90AB1APPALDH1A1
SCHEMBL3192555 0.76 ALDH1A1 (0.52) PTPN1HSP90AA1HSP90AB1MCHR1APP
SCHEMBL10686116 0.76 PTPN1 (0.50) PTPN1HSP90AA1HSP90AB1ALDH1A1HSD17B10
SCHEMBL14877433 0.76 BACE1 (0.50) ALDH1A1ADORA2AKDM4ERAB9AL3MBTL1
SCHEMBL10754223 0.75 MCHR1 (0.49) MCHR1ALDH1A1ADORA2AL3MBTL1
SCHEMBL3629826 0.74 ALDH1A1 (0.57) PTPN1HSP90AA1HSP90AB1APPALDH1A1
SCHEMBL5682766 0.73 ALDH1A1 (0.59) HSP90AA1ALDH1A1HSD17B10GAAMETAP2
SCHEMBL21223648 0.73 APP (0.52) HSP90AA1HSP90AB1MCHR1APPALDH1A1
SCHEMBL29746285 0.73 ALDH1A1 (0.59) HSP90AA1ALDH1A1HSD17B10GAAMETAP2

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
US-4720500-A N-1,8-naphthyridin-2-yl amides useful as immunostimulants RHONE-POULENC SANTE (FR) 1988-01-19 US disclosed