SCHEMBL3662984

SCHEMBL3662984

CCOC(=O)C(=O)C(C)C(=NO)c1ccccc1.CCOC(=O)c1onc(-c2ccccc2)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
MAPK1 P28482 2/20 0.40
TSHR P16473 2/20 0.40
POLB P06746 1/20 0.40
ALOX15 P16050 1/20 0.40
CACNA1F O60840 1/20 0.40
CACNA1D Q01668 1/20 0.40
CACNA1S Q13698 1/20 0.40
CACNA1C Q13936 1/20 0.40
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
ADORA3 P0DMS8 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
PTBP1 P26599 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL3656520 0.90 ALOX5 (0.38) ALDH1A1MAPK1NPSR1SMN1; SMN2LMNA
SCHEMBL3661795 0.88 TARBP2 (0.39) ALDH1A1POLBKDM4EHPGDMAPT
SCHEMBL2777213 0.81 ALDH1A1 (0.48) ALDH1A1TSHRSMN1; SMN2LMNAMAPT
SCHEMBL2778520 0.81 ADORA3 (0.55) ALDH1A1MAPK1TSHRPOLBALOX15
SCHEMBL2777208 0.81 ALDH1A1 (0.48) ALDH1A1TSHRSMN1; SMN2LMNAMAPT
SCHEMBL2778006 0.72 KMT2A (0.42) ALDH1A1TSHRNPSR1SMN1; SMN2LMNA
SCHEMBL2778007 0.72 KMT2A (0.42) ALDH1A1TSHRNPSR1SMN1; SMN2LMNA
SCHEMBL2776676 0.72 KMT2A (0.44) ALDH1A1MAPK1CYP2C9CYP2C19NPSR1
SCHEMBL2776674 0.72 KMT2A (0.44) ALDH1A1MAPK1CYP2C9CYP2C19NPSR1
SCHEMBL2776072 0.70 KDM4E (0.52) ALDH1A1MAPK1CACNA1FCACNA1DCACNA1S

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