SCHEMBL4787209

SCHEMBL4787209

CCC(C)(c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
CYP19A1 P11511 3/20 0.47
NPSR1 Q6W5P4 2/20 0.44
SLC6A2 P23975 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
HRH1 P35367 1/20 0.41
HTR2B P41595 1/20 0.41
CHRNA4 P43681 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
LMNA P02545 1/20 0.40
CYP2A6 P11509 1/20 0.40
POLB P06746 2/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39

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
SCHEMBL13930871 0.80 MEN1 (0.52) MEN1KMT2ACYP19A1NPSR1SLC6A2
SCHEMBL6280416 0.80 KMT2A (0.52) MEN1KMT2ACYP19A1NPSR1SLC6A2
SCHEMBL4352232 0.80 MEN1 (0.52) MEN1KMT2ACYP19A1NPSR1SLC6A2
SCHEMBL11319289 0.78 MEN1 (0.56) MEN1KMT2ACYP19A1NPSR1SLC6A2
SCHEMBL7034518 0.78 MEN1 (0.50) MEN1KMT2ACYP19A1NPSR1SLC6A2
SCHEMBL12157084 0.77 CYP19A1 (0.48) MEN1KMT2ACYP19A1NPSR1SLC6A2
SCHEMBL14149500 0.77 CYP19A1 (0.70) MEN1KMT2ACYP19A1NPSR1SLC6A2
SCHEMBL19200293 0.77 TSHR (0.55) MEN1KMT2ACYP19A1TSHRESR1
SCHEMBL8760835 0.76 SLC6A2 (0.48) MEN1KMT2ACYP19A1NPSR1SLC6A2
SCHEMBL12224193 0.76 KMT2A (0.60) MEN1KMT2ACYP19A1NPSR1TSHR

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
WO-2008083822-A1 A CROSS-LINKING AGENT BOREALIS TECHNOLOGY OY (FI) 2008-07-17 WO claimed
WO-2008006563-A1 PURINE DERIVATIVES AS A2A AGONISTS NOVARTIS AG (CH) 2008-01-17 WO disclosed