SCHEMBL7873335

SCHEMBL7873335

CCOC(=O)CC(=O)c1ccc(-n2c(C(C)C)nc3cnccc32)cc1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 3/20 0.41
PTAFR P25105 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RPS6KA5 O75582 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CYP2D6 P10635 1/20 0.35
S1PR1 P21453 1/20 0.35
CYP2C19 P33261 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL7869540 0.87 MEN1 (0.46) MEN1KMT2AMAPT
SCHEMBL8329396 0.78 MEN1 (0.46) MEN1KMT2AMAPT
SCHEMBL7776463 0.77 ROCK2 (0.41) CRBNPTAFRRPS6KA5
SCHEMBL9384000 0.76 POLB (0.38) PTAFRMEN1KMT2ARPS6KA5MAPT
SCHEMBL7876035 0.76 ALOX15 (0.48) MEN1KMT2AHPGD
SCHEMBL7776583 0.75 RPS6KA5 (0.42) CRBNRPS6KA5CYP2D6S1PR1CYP2C19
SCHEMBL9559464 0.74 HSD17B10 (0.47) MEN1KMT2ASMN1; SMN2HTT
SCHEMBL9727194 0.73 TP53 (0.46) MEN1KMT2AMAPT
SCHEMBL9726878 0.73 MAPK1 (0.52) HTTMAPT
SCHEMBL24477016 0.72 RPS6KA5 (0.49) CRBNRPS6KA5HTTMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6306853-B1 DICARBOXYLIC ESTER DERIVATIVES OF DIHYDROPYRIDINE COMPOUNDS NIKKEN CHEMICALS CO., LTD. (JP) 2001-10-23 US disclosed
EP-1055672-A1 1,4-DIHYDROPYRIDINE DERIVATIVES Nikken Chemicals Company, Limited (JP) 2000-11-29 EP disclosed