SCHEMBL3663329

SCHEMBL3663329

CC(Cc1ccncc1)=NO

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP19A1 P11511 7/20 0.40
LOXL2 Q9Y4K0 2/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TSHR P16473 1/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL1678505 0.79 HTT (0.45) HTTKDM4ETDP1LOXL2ALDH1A1
SCHEMBL3576313 0.79 HTT (0.45) HTTKDM4ETDP1LOXL2ALDH1A1
SCHEMBL10716701 0.77 LOXL2 (0.42) HTTCYP19A1LOXL2ALDH1A1CYP1A2
SCHEMBL14667472 0.77 CTBP2 (0.52) KDM4EALDH1A1CYP2D6CYP2C19TSHR
SCHEMBL10177334 0.77 CTBP2 (0.52) KDM4EALDH1A1CYP2D6CYP2C19TSHR
SCHEMBL3658960 0.77 CTBP2 (0.52) KDM4EALDH1A1CYP2D6CYP2C19TSHR
SCHEMBL4681053 0.77 LOXL2 (0.46) HTTCYP19A1LOXL2ALDH1A1CYP1A2
SCHEMBL10744042 0.76 NAPRT (0.55) KDM4ETDP1CYP19A1ALDH1A1CYP1A2
SCHEMBL10744051 0.76 NAPRT (0.55) KDM4ETDP1CYP19A1ALDH1A1CYP1A2
SCHEMBL362289 0.76 CTBP2 (0.55) TDP1ALDH1A1CYP1A2GAARAB9A

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