SCHEMBL20810296

SCHEMBL20810296

CCCCC#Cc1cccc(C(=O)NCC(=O)OC)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 3/20 0.45
GAA P10253 2/20 0.45
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
EGLN1 Q9GZT9 1/20 0.42
MMP1 P03956 1/20 0.41
ACACB O00763 1/20 0.41

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
SCHEMBL20810441 0.88 MAPK1 (0.47) MAPK1MEN1KMT2AGAAKDM4E
SCHEMBL20810569 0.86 MAPK1 (0.46) MAPK1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL20810494 0.86 SMN1; SMN2 (0.52) MAPK1SMN1; SMN2MAPTGAAACACB
SCHEMBL16800036 0.85 MAPK1 (0.45) MAPK1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL20810565 0.85 MAPK1 (0.43) MAPK1MEN1KMT2AGAAKDM4E
SCHEMBL18020997 0.85 MAPK1 (0.44) MAPK1MEN1KMT2AGAAKDM4E
SCHEMBL20810537 0.85 MAPK1 (0.44) MAPK1MEN1KMT2AGAAKDM4E
SCHEMBL20810370 0.84 MAPK1 (0.43) MAPK1MEN1KMT2AMAPTGAA
SCHEMBL18020996 0.84 MAPK1 (0.43) MAPK1MEN1KMT2AGAAKDM4E
SCHEMBL20810307 0.83 SMN1; SMN2 (0.48) MAPK1MEN1KMT2ASMN1; SMN2POLB

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
EP-3077369-B1 BENZAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF MUSCULAR DISORDERS AND PAIN AND FOR CONTROLLING SPASTICITY AND TREMORS UCL BUSINESS PLC (GB) 2019-03-13 EP disclosed