SCHEMBL21755852

SCHEMBL21755852

COc1cc(C=O)c(OCc2cccnc2/C(=C/C=N)NCC(=O)O)cn1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 9/20 0.33
EGLN2 Q96KS0 1/20 0.33
FTO Q9C0B1 1/20 0.33
GAA P10253 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
PDCD1 Q15116 2/20 0.30
CD274 Q9NZQ7 2/20 0.30
ERN1 O75460 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL21755834 0.88 ERN1 (0.32) ERN1ALDH1A1MAPT
SCHEMBL21755847 0.83 ERN1 (0.33) GAAADORA2AERN1KDM4EMEN1
SCHEMBL21755806 0.83 SYK (0.34) ERN1MEN1ALDH1A1MAPTKMT2A
SCHEMBL30078095 0.82 KDM4E (0.42) ERN1KDM4EMEN1ALDH1A1MAPT
SCHEMBL15066126 0.82 KDM4E (0.42) ERN1KDM4EMEN1ALDH1A1MAPT
SCHEMBL15065402 0.81 PARP1 (0.39) ERN1KDM4EMEN1ALDH1A1MAPT
SCHEMBL21755845 0.80 SGMS2 (0.32)
SCHEMBL30078023 0.79 SYK (0.40) ERN1MEN1ALDH1A1MAPTKMT2A
SCHEMBL15065522 0.79 SYK (0.40) ERN1MEN1ALDH1A1MAPTKMT2A
SCHEMBL21755836 0.79 SYK (0.38) ERN1MEN1ALDH1A1MAPTKMT2A

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
EP-2797597-B1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS INC (US) 2020-02-26 EP disclosed