SCHEMBL21755858

SCHEMBL21755858

COC(OC)c1ccncc1OCc1ccc(C(=O)N[S+](C)[O-])cn1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 4/20 0.38
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
SYK P43405 2/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33
MAPT P10636 3/20 0.33
GAA P10253 2/20 0.33
AHR P35869 1/20 0.33
SMPD1 P17405 1/20 0.32
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL15066002 0.83 MAPT (0.41) NOX1SYKAURKBINCENPMAPT
SCHEMBL15065570 0.83 P4HTM (0.43) NOX1
SCHEMBL15065530 0.71 KDM4E (0.33) KDM4EALDH1A1HTTL3MBTL1
SCHEMBL15065829 0.70 MRGPRX4 (0.53)
SCHEMBL15065260 0.68 MRGPRX4 (0.50)
SCHEMBL20897353 0.67 NOX1 (0.39) NOX1KMT2AMEN1MAPTAHR
SCHEMBL21164025 0.65 HDAC1 (0.59) KMT2AMAPTGAAALDH1A1LMNA
SCHEMBL15065174 0.64 P4HTM (0.44) NOX1
SCHEMBL30077942 0.64 P4HTM (0.44) NOX1
SCHEMBL9768630 0.61 ALDH1A1 (0.44) KMT2AMEN1MAPTGAAALDH1A1

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