SCHEMBL3629586

SCHEMBL3629586

COC(=O)Oc1ccc2c(c1)OCN2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
LMNA P02545 4/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 4/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP14 P50281 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
ALOX15 P16050 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
MAPT P10636 4/20 0.33
MTNR1A P48039 3/20 0.33
CYP2C9 P11712 1/20 0.33
CA2 P00918 1/20 0.33
CA5A P35218 1/20 0.33
MEN1 O00255 2/20 0.33
ACHE P22303 2/20 0.32
TP53 P04637 2/20 0.32
TSHR P16473 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL7196340 0.79 SNCA (0.46) ALDH1A1LMNAGAAKMT2ASMN1; SMN2
SCHEMBL22731600 0.70 KDM4E (0.50) ALDH1A1GAAKMT2AALOX15MAPT
SCHEMBL13222490 0.70 MRGPRX4 (0.46) KMT2AMAPTMEN1KDM4E
SCHEMBL6985278 0.70 MAPT (0.52) ALDH1A1LMNAGAAALOX15MAPT
SCHEMBL2944091 0.69 KDM4E (0.47) ALDH1A1LMNAGAAKMT2ASMN1; SMN2
SCHEMBL676909 0.69 KMT2A (0.58) ALDH1A1LMNAGAAKMT2AMMP2
SCHEMBL3732847 0.68 ALDH1A1 (0.53) ALDH1A1GAAMAPTCA2TP53
SCHEMBL6980695 0.68 GAA (0.48) GAA
SCHEMBL883917 0.67 TSHR (0.54) ALDH1A1SMN1; SMN2TSHR
SCHEMBL12578481 0.67 NPC1 (0.37) ALDH1A1LMNAKMT2ASMN1; SMN2MAPT

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-2150551-A1 2-OXO-3-BENZYL-BENZOXAZOL-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS MET KINASE INHIBITORS FOR THE TREATMENT OF TUMORS Merck Patent GmbH (DE) 2010-02-10 EP disclosed
WO-2008148449-A1 2-OXO-3-BENZYL-BENZOXAZOL-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS MET KINASE INHIBITORS FOR THE TREATMENT OF TUMORS MERCK PATENT GMBH (DE) 2008-12-11 WO disclosed