SCHEMBL5209802

SCHEMBL5209802

CCOC(=O)c1noc(C)c1C(=O)c1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
HTT P42858 2/20 0.50
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MLYCD O95822 1/20 0.44
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.43
LMNA P02545 1/20 0.43
TDP2 O95551 2/20 0.42
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TARBP2 Q15633 1/20 0.40
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40

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
SCHEMBL3032322 0.87 ALDH1A1 (0.53) ALDH1A1HTTKMT2ANPSR1MLYCD
SCHEMBL994810 0.87 HTT (0.54) ALDH1A1HTTNPSR1MLYCDMAPT
SCHEMBL3032698 0.85 ALDH1A1 (0.54) ALDH1A1HTTMLYCDMAPTLMNA
SCHEMBL3033421 0.85 HTT (0.58) ALDH1A1HTTKMT2ANPSR1MLYCD
SCHEMBL3038647 0.84 ALDH1A1 (0.49) ALDH1A1HTTKMT2AKDM4EMAPT
SCHEMBL1374393 0.84 ALDH1A1 (0.53) ALDH1A1HTTNPSR1MAPTLMNA
SCHEMBL4899229 0.83 ALDH1A1 (0.52) ALDH1A1HTTKMT2ANPSR1MLYCD
SCHEMBL5211761 0.81 LMNA (0.47) ALDH1A1HTTKMT2ANPSR1KDM4E
SCHEMBL3037380 0.80 ALDH1A1 (0.52) ALDH1A1HTTKMT2ANPSR1MLYCD
SCHEMBL3036700 0.80 HTT (0.56) ALDH1A1HTTNPSR1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1156048-B1 Heteroaroyl-isoxazoles and their use as herbicides BAYER AGRICULTURE LTD (GB) 2007-08-08 EP claimed
EP-1156048-B1 Heteroaroyl-isoxazoles and their use as herbicides BAYER AGRICULTURE LTD (GB) 2007-08-08 EP disclosed
EP-0588357-B1 Isoxazoles derivatives and their use as herbicides AVENTIS AGRICULTURE LTD (GB) 2002-06-12 EP disclosed
EP-1156048-A1 Heteroaroyl-isoxazoles and their use as herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 2001-11-21 EP disclosed
EP-0588357-A1 Isoxazoles derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-03-23 EP disclosed