SCHEMBL21755853

SCHEMBL21755853

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

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
ERN1 O75460 7/20 0.33
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
LMNA P02545 1/20 0.30
CD274 Q9NZQ7 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
SCHEMBL15065522 0.86 SYK (0.40) SYKTDP1ERN1SMN1; SMN2NPC1
SCHEMBL30078023 0.86 SYK (0.40) SYKTDP1ERN1SMN1; SMN2NPC1
SCHEMBL21755836 0.85 SYK (0.38) SYKERN1SMN1; SMN2NPC1RAB9A
SCHEMBL15065402 0.84 PARP1 (0.39) SYKERN1SMN1; SMN2NPC1RAB9A
SCHEMBL30078095 0.83 KDM4E (0.42) SYKTDP1ERN1SMN1; SMN2NPC1
SCHEMBL15066126 0.83 KDM4E (0.42) SYKTDP1ERN1SMN1; SMN2NPC1
SCHEMBL21755806 0.82 SYK (0.34) SYKERN1SMN1; SMN2NPC1RAB9A
SCHEMBL16549759 0.81 ERN1 (0.33) SYKERN1SMN1; SMN2NPC1RAB9A
SCHEMBL21755827 0.80 ERN1 (0.33) SYKERN1SMN1; SMN2NPC1RAB9A
SCHEMBL21755839 0.78 ERN1 (0.32) ERN1SMN1; SMN2NPC1RAB9AALDH1A1

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