SCHEMBL2636627

SCHEMBL2636627

COC(=O)Oc1nccnc1O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 1/20 0.32
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL28007567 0.79 LMNA (0.34) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL6186076 0.78 HSD17B10 (0.33) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL7994968 0.78 ATR (0.34) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL4632562 0.78 PRKCI (0.38) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL7534857 0.77 NAPRT (0.34) KDM4E
SCHEMBL6639870 0.72 KDM4E (0.50) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL8378283 0.71 KDM4E (0.45) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL4634043 0.71 TDP1 (0.42) KDM4EHPGDHSD17B10ALDH1A1ALOX15
SCHEMBL8559884 0.69 PTPN11 (0.36) KDM4EHPGDHSD17B10ALDH1A1TDP1
SCHEMBL2636206 0.68 HTT (0.49) HPGDALDH1A1MAPTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438071-A1 SUBSTITUTED PYRAZINE (THIO)PYRANS WITH A HERBICIDAL ACTION BASF SE (DE) 2012-04-11 EP disclosed
WO-2010139657-A1 SUBSTITUTED PYRAZINE (THIO)PYRANS WITH A HERBICIDAL ACTION BASF SE (DE) 2010-12-09 WO disclosed