SCHEMBL15083755

SCHEMBL15083755

C=Cc1cc(OC)ncc1OCc1cccnc1C#N

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PLCG1 P19174 1/20 0.32
CSF1R P07333 3/20 0.32
CD274 Q9NZQ7 1/20 0.31
PDE4B Q07343 1/20 0.31
MPO P05164 1/20 0.30
SGMS2 Q8NHU3 1/20 0.30
EED O75530 1/20 0.30
SUZ12 Q15022 1/20 0.30
EZH2 Q15910 1/20 0.30
ENPP2 Q13822 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
SCHEMBL15065962 0.89 ERN1 (0.35) CYP11B1ALDH1A1KDM4EMAPTNPSR1
SCHEMBL30077989 0.89 ERN1 (0.35) CYP11B1ALDH1A1KDM4EMAPTNPSR1
SCHEMBL16072974 0.78 KDM4E (0.41) ALDH1A1KDM4E
SCHEMBL24357962 0.78 ERN1 (0.35) ALDH1A1MAPTPLCG1CD274
SCHEMBL16072984 0.78 SYK (0.34) ALDH1A1KDM4EMAPTNPSR1TDP1
SCHEMBL16072973 0.77 DPP4 (0.44) ALDH1A1KDM4EMAPTNPSR1TDP1
SCHEMBL15068295 0.77 CYP11B1 (0.32) CYP11B1ALDH1A1CSF1RCD274SGMS2
SCHEMBL16072986 0.76 KCNA5 (0.43) PDE4B
SCHEMBL21755850 0.75 PPARA (0.30) CSF1R
SCHEMBL16072979 0.73 CSF1R (0.34) CSF1RSGMS2

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
WO-2013102142-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. (US) 2013-07-04 WO disclosed