SCHEMBL4068166

SCHEMBL4068166

COc1cc(-c2nc3sc4c(c3c(=O)n2CCc2ccccc2)CCCC4)cc(OC)c1OC

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
ALDH1A1 P00352 5/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
NPSR1 Q6W5P4 3/20 0.55
GAA P10253 2/20 0.55
MAPK1 P28482 2/20 0.55
HTT P42858 2/20 0.55
LMNA P02545 1/20 0.55
MITF O75030 1/20 0.53
CDKN1A P38936 3/20 0.52
ADORA2B P29275 2/20 0.51
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PTGS2 P35354 1/20 0.47
POLB P06746 2/20 0.47

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
SCHEMBL2924396 0.91 TP53 (0.58) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL2926345 0.86 CDKN1A (0.56) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL2925650 0.85 CDKN1A (0.56) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL13869863 0.84 CDKN1A (0.50) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL2920423 0.83 CDKN1A (0.57) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL2918432 0.83 ALDH1A1 (0.57) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL2915153 0.81 NPC1 (0.60) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL2925167 0.80 CDKN1A (0.54) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL2922685 0.80 CDKN1A (0.53) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL2923793 0.79 HSD11B1 (0.48) MAPTALDH1A1MEN1KMT2ANPSR1

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-1828197-B1 NOVEL SUBSTITUTED THIOPHENEPYRIMIDINONE DERIVATIVES AS INHIBITORS OF 17ß-HYDROXYSTEROID DEHYDROGENASE SOLVAY PHARM GMBH (DE) 2009-05-13 EP disclosed