SCHEMBL880405

SCHEMBL880405

BC(=O)C1=C(C)NC(=O)CC1c1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
LMNA P02545 1/20 0.53
TSHR P16473 2/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
GPBAR1 Q8TDU6 4/20 0.44
TP53 P04637 2/20 0.44
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
PKM P14618 1/20 0.42
ROCK1 Q13464 4/20 0.42
RPS6KA1 Q15418 4/20 0.42
RPS6KB1 P23443 3/20 0.42

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
SCHEMBL13522411 0.84 HTT (0.76) HTTLMNATSHRGAAKMT2A
SCHEMBL880422 0.84 MAPT (0.47) HTTLMNATSHRGAAGPBAR1
SCHEMBL31633556 0.73 DDB1 (0.69) LMNATSHRGAAKMT2ADDB1
SCHEMBL17478091 0.72 GPBAR1 (0.59) HTTTSHRGAAKMT2AGPBAR1
SCHEMBL880375 0.71 HTT (0.78) HTTLMNATSHRGAAGPBAR1
SCHEMBL13522409 0.71 HTT (0.64) HTTTSHRGAAGPBAR1TP53
SCHEMBL14029127 0.70 HTT (0.67) HTTLMNATSHRGAAGPBAR1
SCHEMBL880259 0.70 IDO1 (0.60) LMNATSHRGAAKMT2AGPBAR1
SCHEMBL3342133 0.70 LMNA (0.58) HTTLMNAGAAGPBAR1TP53
SCHEMBL3888823 0.70 GPBAR1 (0.65) HTTLMNATSHRGAAGPBAR1

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-2433634-A2 Compounds, compositions and methods of inhibiting a-synuclein toxicity The Whitehead Institute for Biomedical Research (US) 2012-03-28 EP disclosed