SCHEMBL8310332

SCHEMBL8310332

Cc1cc(OCC2CC2C(F)(F)F)nc(Oc2ccnc(C(F)(F)F)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.36
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
LOXL2 Q9Y4K0 4/20 0.33
LOX P28300 2/20 0.33
HCRTR1 O43613 3/20 0.33
HCRTR2 O43614 3/20 0.33
ALOX5AP P20292 2/20 0.32
FEN1 P39748 2/20 0.32
TGFBR1 P36897 1/20 0.32
RXRA P19793 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
KDM4E B2RXH2 2/20 0.31
LMNA P02545 1/20 0.31
ATM Q13315 2/20 0.31
SYK P43405 1/20 0.31

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
SCHEMBL8314841 0.80 BLM (0.34) BLMLOXL2LOXALOX5APFEN1
SCHEMBL8315527 0.77 KMT2A (0.39) HCRTR1HCRTR2TGFBR1
SCHEMBL6610030 0.76 BLM (0.37) BLMLOXL2LOXALOX5APFEN1
SCHEMBL6612907 0.75 BLM (0.37) BLMLOXL2LOXALOX5APFEN1
SCHEMBL8126836 0.74 BLM (0.38) BLMLOXL2LOXALOX5APFEN1
SCHEMBL6609150 0.74 BLM (0.36) BLMLOXL2LOXALOX5APFEN1
SCHEMBL6611166 0.74 BLM (0.34) BLMLOXL2LOXTGFBR1RXRA
SCHEMBL8481697 0.73 BLM (0.38) BLMHDAC1HDAC6LOXL2LOX
SCHEMBL8475227 0.73 CYP11B1 (0.36) BLMHDAC1HDAC6LOXL2LOX
SCHEMBL6609586 0.72 BLM (0.34) BLMLOXL2LOXALOX5APFEN1

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-0955292-A1 Herbicidal 2-(cycloalk(en)yloxy)-6-(hetero)aryloxy(thio)pyridines American Cyanamid Company (US) 1999-11-10 EP claimed
EP-0946552-A1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1999-10-06 EP claimed
WO-1998013366-A1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-04-02 WO claimed
EP-0955292-A1 Herbicidal 2-(cycloalk(en)yloxy)-6-(hetero)aryloxy(thio)pyridines American Cyanamid Company (US) 1999-11-10 EP disclosed