SCHEMBL31064873

SCHEMBL31064873

c1coc(-c2nccnc2-c2ccco2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.65
POLB P06746 5/20 0.65
MEN1 O00255 5/20 0.65
KMT2A Q03164 5/20 0.65
KDM4E B2RXH2 5/20 0.65
TDP1 Q9NUW8 4/20 0.65
MAPT P10636 4/20 0.65
ALOX15 P16050 4/20 0.65
BLM P54132 4/20 0.65
HSD17B10 Q99714 4/20 0.65
PKM P14618 3/20 0.65
CASP1 P29466 3/20 0.65
CASP7 P55210 3/20 0.65
L3MBTL1 Q9Y468 3/20 0.65
HPGD P15428 3/20 0.65
PTPN7 P35236 3/20 0.65
RECQL P46063 3/20 0.65
USP2 O75604 1/20 0.65
LMNA P02545 1/20 0.65
THRB P10828 1/20 0.65

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
SCHEMBL19718899 0.85 ALDH1A1 (0.54) ALDH1A1POLBMEN1KMT2AKDM4E
SCHEMBL8545080 0.81 ALDH1A1 (0.54) ALDH1A1POLBMEN1KMT2AKDM4E
SCHEMBL2114343 0.79 MAPT (1.00) ALDH1A1POLBMEN1KMT2AKDM4E
SCHEMBL27683807 0.78 KDM4E (0.55) ALDH1A1POLBMEN1KMT2AKDM4E
SCHEMBL10966608 0.76 CDK5 (0.49) ALDH1A1POLBMEN1KMT2AKDM4E
SCHEMBL15482288 0.76 ALDH1A1 (0.48) ALDH1A1POLBMEN1KMT2AKDM4E
SCHEMBL18151781 0.76 ALDH1A1 (0.54) ALDH1A1POLBMEN1KMT2AKDM4E
SCHEMBL5259444 0.75 POLB (0.65) ALDH1A1POLBMEN1KMT2AKDM4E
SCHEMBL13388707 0.75 ALDH1A1 (0.47) ALDH1A1POLBMEN1KMT2AKDM4E
SCHEMBL16752608 0.75 PIK3R1 (0.48) ALDH1A1POLBMEN1KMT2AKDM4E

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
CN-118406043-A Preparation method of 2, 5-bis- (2-furyl) pyrazine 河北科技大学 2024-07-30 CN disclosed