SCHEMBL14898604

SCHEMBL14898604

COC(=O)c1ccc2oc(=O)n(Cc3ccc(C)c(C)c3)c2c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.53
▸ MAPT P10636 3/20 0.53
▸ LMNA P02545 3/20 0.53
▸ TSHR P16473 3/20 0.53
▸ HTT P42858 3/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ MIF P14174 6/20 0.50
▸ CD74 P04233 3/20 0.50
▸ POLB P06746 2/20 0.50
▸ KMT2A Q03164 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ GAA P10253 1/20 0.47
▸ MAPK1 P28482 1/20 0.47

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
SCHEMBL2544422 0.85 MAPT (0.53) TP53MAPTLMNATSHRHTT
SCHEMBL2546842 0.83 MAPT (0.50) TP53MAPTLMNATSHRHTT
SCHEMBL14563242 0.82 MAPT (0.62) TP53MAPTMIFCD74POLB
SCHEMBL2546874 0.82 MAPT (0.49) TP53MAPTLMNATSHRHTT
SCHEMBL12241021 0.81 MIF (0.53) TP53MAPTMIFCD74POLB
SCHEMBL16419129 0.78 MIF (0.57) TP53MAPTLMNATSHRHTT
SCHEMBL16421403 0.78 MIF (0.57) TP53MAPTMIFCD74POLB
SCHEMBL20595111 0.76 MIF (0.54) TP53MAPTLMNATSHRSMN1; SMN2
SCHEMBL2546995 0.74 MAPT (0.49) TP53MAPTMIFCD74POLB
SCHEMBL24885166 0.73 ALDH1A1 (0.56) TP53LMNATSHRSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431572-B2 2-oxo-3-benzylbenzoxazol-2-one derivatives and related compounds as met kinase inhibitors for the treatment of tumours MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-04-30 — — US disclosed
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