SCHEMBL7782356

SCHEMBL7782356

CC(NC(=O)OC(C)(C)C)C(=O)NC(C)C(=O)NN1C(=O)Cc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
SCN9A Q15858 13/20 0.41
NOTUM Q6P988 1/20 0.38
ATM Q13315 1/20 0.37
KMT2A Q03164 1/20 0.37
CACNA1C Q13936 2/20 0.37
NR1I3 Q14994 1/20 0.37

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
SCHEMBL6306458 0.89 SCN9A (0.40) L3MBTL1SCN9AATMKMT2ACACNA1C
SCHEMBL4413239 0.84 NOTUM (0.47) L3MBTL1SCN9ANOTUMKMT2ANR1I3
SCHEMBL8633273 0.81 L3MBTL1 (0.40) L3MBTL1NOTUM
SCHEMBL4420583 0.75 CASP6 (0.40) SCN9ANOTUMKMT2ANR1I3
SCHEMBL29481070 0.73 GRM7 (0.55) ATMKMT2A
SCHEMBL5638613 0.73 L3MBTL1 (0.49) L3MBTL1SCN9AKMT2ANR1I3
SCHEMBL4421108 0.72 PSEN1 (0.42) SCN9A
SCHEMBL4417737 0.72 PSEN1 (0.42) SCN9A
SCHEMBL7795540 0.71 L3MBTL1 (0.44) L3MBTL1SCN9ANOTUMKMT2ANR1I3
SCHEMBL28668564 0.71 NAMPT (0.51) NOTUMATM

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-0853614-B1 SUBSTITUTED TETRALYLMETHYLEN-OXINDOLE ANALOGUES AS TYROSINE KINASE INHIBITORS PHARMACIA & UPJOHN SPA (IT) 2001-10-04 EP disclosed
US-6147073-A IMPROVED BIOAVAILABILITY PHARMACIA & UPJOHN S.P.A. (IT) 2000-11-14 US disclosed