SCHEMBL3662262

SCHEMBL3662262

COC(=O)c1ccnc(NCc2ccco2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
MAPK1 P28482 5/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 6/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPSR1 Q6W5P4 4/20 0.44
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM6B O15054 1/20 0.44
KDM4A O75164 1/20 0.44
KDM5C P41229 1/20 0.44
KDM4D Q6B0I6 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
MAPT P10636 5/20 0.44
KCNH3 Q9ULD8 1/20 0.44
HPGD P15428 1/20 0.43
APP P05067 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL27862873 0.80 CA1 (0.51) KDM4EALDH1A1KMT2AMEN1NPSR1
SCHEMBL29502645 0.79 KDM4E (0.42) KDM4EMAPK1ALDH1A1SMN1; SMN2
SCHEMBL28605998 0.76 IDH1 (0.42) KDM4EMAPK1HSD17B10ALDH1A1HPGD
SCHEMBL27798554 0.75 KMT2A (0.48) KDM4EMAPK1HSD17B10ALDH1A1KMT2A
SCHEMBL1788322 0.74 KDM4E (0.46) KDM4EMAPK1ALDH1A1NPSR1SMN1; SMN2
SCHEMBL1788016 0.71 KDM4E (0.47) KDM4EMAPK1KMT2AMEN1SMN1; SMN2
SCHEMBL11093560 0.71 KDM4E (0.62) KDM4EMAPK1HSD17B10ALDH1A1KMT2A
SCHEMBL670174 0.71 AURKA (0.53) MAPK1MAPTEGFR
SCHEMBL28129515 0.71 KDM4E (0.44) KDM4EKMT2AMEN1TDP1TSHR
SCHEMBL118131 0.70 SMN1; SMN2 (0.49) KDM4EMAPK1HSD17B10ALDH1A1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2237669-A2 CHEMICAL COMPOUNDS Syngenta Limited (GB) 2010-10-13 EP disclosed
EP-2235037-A1 STEROID DERIVATIVES ACTING AS GLUCOCORTICOSTEROID RECEPTOR AGONISTS AstraZeneca AB (SE) 2010-10-06 EP disclosed
WO-2009081112-A2 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-07-02 WO disclosed
WO-2009082342-A1 STEROID DERIVATIVES ACTING AS GLUCOCORTICOSTEROID RECEPTOR AGONISTS ASTRAZENECA AB (SE) 2009-07-02 WO disclosed