SCHEMBL9848768

SCHEMBL9848768

CCc1[nH]c(=O)c(N(C)N2C(=O)c3ccccc3C2=O)cc1C

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RPS6KA2 Q15349 1/20 0.33
DRD3 P35462 1/20 0.33
HPGD P15428 2/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
BRD4 O60885 2/20 0.32
MAPK1 P28482 2/20 0.32
MAOB P27338 2/20 0.32
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
CASP3 P42574 1/20 0.31
ATAD2 Q6PL18 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL9848757 0.83 KMT2A (0.36) MEN1KMT2AHPGDMAPTHTT
SCHEMBL9848755 0.70 MAPK1 (0.56) MEN1KMT2ARPS6KA2HPGDMAPT
SCHEMBL15181275 0.63 MEN1 (0.47) MEN1KMT2ARPS6KA2DRD3MAPT
SCHEMBL8727685 0.63 ALDH1A1 (0.45) MEN1KMT2ARPS6KA2HPGDMAPT
SCHEMBL873778 0.62 CASP3 (0.52) MEN1KMT2ADRD3HPGDMAPT
SCHEMBL20979820 0.61 CASP3 (0.50) MEN1KMT2ADRD3MAPTHTT
SCHEMBL9848744 0.60 MAPK1 (0.51) MEN1KMT2ARPS6KA2DRD3HPGD
SCHEMBL9846149 0.60 LMNA (0.33) MEN1KMT2ARPS6KA2DRD3HPGD
SCHEMBL9846146 0.60 LMNA (0.33) MEN1KMT2ARPS6KA2DRD3HPGD
SCHEMBL6520641 0.58 MEN1 (0.46) MEN1KMT2ADRD3MAPTHTT

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-0462808-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 EP disclosed