SCHEMBL21755827

SCHEMBL21755827

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.33
SYK P43405 2/20 0.32
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL21755836 0.86 SYK (0.38) ERN1SYKNPC1ALDH1A1MAPT
SCHEMBL30078023 0.85 SYK (0.40) ERN1SYKNPC1ALDH1A1MAPT
SCHEMBL15065522 0.85 SYK (0.40) ERN1SYKNPC1ALDH1A1MAPT
SCHEMBL21755806 0.84 SYK (0.34) ERN1SYKNPC1ALDH1A1MAPT
SCHEMBL30078095 0.83 KDM4E (0.42) ERN1SYKNPC1ALDH1A1MAPT
SCHEMBL15066126 0.83 KDM4E (0.42) ERN1SYKNPC1ALDH1A1MAPT
SCHEMBL15065402 0.83 PARP1 (0.39) ERN1SYKNPC1ALDH1A1MAPT
SCHEMBL21755841 0.82 ERN1 (0.32) ERN1NPC1ALDH1A1MAPTHTT
SCHEMBL16549759 0.82 ERN1 (0.33) ERN1SYKNPC1ALDH1A1MAPT
SCHEMBL21755834 0.81 ERN1 (0.32) ERN1NPC1ALDH1A1MAPTHTT

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