SCHEMBL9846149

SCHEMBL9846149

CCc1cc(C=CN2C(=O)c3ccccc3C2=O)c(=O)[nH]c1CC

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
RPS6KA2 Q15349 1/20 0.33
ALDH1A1 P00352 4/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CASP3 P42574 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
MAPT P10636 2/20 0.30
DRD3 P35462 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL9846146 1.00 LMNA (0.33) LMNARPS6KA2ALDH1A1MEN1KMT2A
SCHEMBL9431737 0.87 NR1H3 (0.33) LMNARPS6KA2ALDH1A1MEN1KMT2A
SCHEMBL9431734 0.87 NR1H3 (0.33) LMNARPS6KA2ALDH1A1MEN1KMT2A
SCHEMBL9848744 0.68 MAPK1 (0.51) LMNARPS6KA2ALDH1A1MEN1KMT2A
SCHEMBL28669956 0.65 DRD3 (0.41) RPS6KA2ALDH1A1MEN1KMT2ACASP3
SCHEMBL7952503 0.64 NFE2L2 (0.52) MEN1KMT2ANR1H2NR1H3
SCHEMBL7952506 0.64 NFE2L2 (0.52) MEN1KMT2ANR1H2NR1H3
SCHEMBL6752627 0.63 CYP1A2 (0.44) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6752629 0.63 CYP1A2 (0.44) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL19533850 0.62 CASP3 (0.43) RPS6KA2ALDH1A1MEN1KMT2ACASP3

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-0462800-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 EP disclosed