SCHEMBL9788348

SCHEMBL9788348

CC(NC(=O)CNC(=O)C1(C(C)C)CC1(Cl)Cl)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 11/20 0.53
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ATM Q13315 1/20 0.45
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL9788346 0.86 GPR139 (0.54) GPR139MEN1KMT2AATMGAA
SCHEMBL9788357 0.74 GPR139 (0.54) GPR139MEN1KMT2AATMGAA
SCHEMBL8818729 0.73 HPGD (0.49) GPR139GAAHPGDSMN1; SMN2
SCHEMBL23122290 0.72 GPR139 (0.54) GPR139MEN1KMT2AATMGAA
SCHEMBL23122289 0.72 GPR139 (0.54) GPR139MEN1KMT2AATMGAA
SCHEMBL7897298 0.71 SMN1; SMN2 (0.69) GPR139MEN1KMT2AATMGAA
SCHEMBL8445815 0.71 GPR139 (0.55) GPR139MEN1KMT2AATMGAA
SCHEMBL7932227 0.70 GPR139 (0.54) GPR139MEN1KMT2AATMGAA
SCHEMBL7900323 0.68 ACACA (0.56) GPR139MEN1KMT2AGAAHPGD
SCHEMBL8949273 0.68 SMN1; SMN2 (0.53) GPR139MEN1KMT2AGAAHPGD

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-5034408-A Fungicides of dihalocyclopropanoylamino acid amides BAYER AKTIENGESELLSCHAFT (DE) 1991-07-23 US claimed