SCHEMBL6603683

SCHEMBL6603683

COC(=O)CCc1oc(-n2ccnc2C)nc1-c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
EGFR P00533 1/20 0.36
CYP3A4 P08684 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RXRA P19793 3/20 0.35
RXRB P28702 3/20 0.35

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
SCHEMBL1360271 0.89 RXRA (0.38) MAPTCYP3A4MEN1KMT2AHPGD
SCHEMBL6606347 0.89 RXRA (0.47) ALDH1A1KDM4EMAPTHPGDRXRA
SCHEMBL5210693 0.88 ALDH1A1 (0.40) ALDH1A1KDM4ELMNAMAPTCYP11B1
SCHEMBL7462674 0.88 NR4A2 (0.37) MAPTCYP3A4RXRARXRBRXRG
SCHEMBL1361608 0.87 PTPN1 (0.38) ALDH1A1KDM4EMAPTCYP3A4MEN1
SCHEMBL5206976 0.87 KMT2A (0.38) ALDH1A1KDM4ELMNAMAPTCYP11B1
SCHEMBL1362046 0.87 PPARD (0.36) ALDH1A1KDM4ELMNAMAPTCYP3A4
SCHEMBL5211827 0.87 ALDH1A1 (0.37) ALDH1A1KDM4ELMNAMAPTCYP11B1
SCHEMBL7466800 0.87 LMNA (0.34) ALDH1A1KDM4ELMNAMAPTGAA
SCHEMBL7461461 0.85 RXRA (0.43) RXRARXRBRXRG

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-1219610-B1 PROCESS FOR THE PREPARATION OF OXAZOLE DERIVATIVES TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-02-25 EP claimed
EP-1219610-A1 PROCESS FOR THE PREPARATION OF OXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP claimed
US-6699995-B1 ALKYLATION AT 5-POSITION OF OXAZOLE BY REACTION WITH UNSATURATED COMPOUND IN PRESENCE OF ACID OR BASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-03-02 US disclosed
EP-1219610-B1 PROCESS FOR THE PREPARATION OF OXAZOLE DERIVATIVES TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-02-25 EP disclosed
EP-1219610-A1 PROCESS FOR THE PREPARATION OF OXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP disclosed