SCHEMBL3659068

SCHEMBL3659068

Oc1conc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.47
CHUK O15111 1/20 0.43
TXNRD1 Q16881 1/20 0.43
NOX4 Q9NPH5 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GSR P00390 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
COMT P21964 1/20 0.40
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39

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
SCHEMBL5774283 0.78 HIF1A (0.41) KIF11MEN1KMT2AGSRMKNK1
SCHEMBL3658890 0.75 HSP90AA1 (0.54) CHUKTXNRD1NOX4ALDH1A1CYP1A2
SCHEMBL5773073 0.75 GSR (0.41) KIF11MEN1KMT2AGSRMKNK1
SCHEMBL28186259 0.75 MEN1 (0.39) KIF11MEN1KMT2AGSRMKNK1
SCHEMBL28186260 0.72 MAPT (0.45) KIF11TXNRD1KDM4EALDH1A1POLB
SCHEMBL5773336 0.71 FFAR4 (0.48)
SCHEMBL5773409 0.70 MAPT (0.49) KDM4EMEN1KMT2APTPN1
SCHEMBL27809403 0.67 CYP2C8 (0.46) KIF11PIK3CACES2CES1
SCHEMBL29005864 0.67 KIF11 (0.50) KIF11KDM4EALDH1A1CYP1A2POLB
SCHEMBL3294022 0.66 KIF11 (0.60) KIF11CHUKTXNRD1NOX4KDM4E

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-2227475-A1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS Fibrogen, Inc. (US) 2010-09-15 EP disclosed
WO-2009073669-A1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS FIBROGEN, INC. (US) 2009-06-11 WO disclosed