SCHEMBL4538530

SCHEMBL4538530

CNC(C)(O)c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
NPSR1 Q6W5P4 3/20 0.50
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
HIF1A Q16665 1/20 0.48
POLB P06746 2/20 0.46
CYP19A1 P11511 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
BCL2 P10415 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL28556870 0.77 KIF11 (0.47) MEN1KMT2ATSHRMAPK1HIF1A
SCHEMBL23209634 0.76 MEN1 (0.52) MEN1KMT2ANPSR1TSHRMAPK1
SCHEMBL5301475 0.76 MEN1 (0.52) MEN1KMT2ANPSR1TSHRMAPK1
SCHEMBL3345076 0.76 KCNN4 (0.54) KMT2AMAPK1HIF1ACYP1A2CYP2C19
SCHEMBL1016971 0.75 KMT2A (0.71) MEN1KMT2ANPSR1TSHRMAPK1
SCHEMBL26402 0.75 MEN1 (1.00) MEN1KMT2ANPSR1TSHRMAPK1
SCHEMBL4297794 0.75 MEN1 (0.71) MEN1KMT2ANPSR1TSHRMAPK1
SCHEMBL28652667 0.75 MEN1 (0.52) MEN1KMT2ANPSR1TSHRMAPK1
SCHEMBL8743247 0.73 KMT2A (0.68) MEN1KMT2ANPSR1TSHRMAPK1
SCHEMBL16312162 0.72 NPSR1 (0.55) MEN1KMT2ANPSR1TSHRMAPK1

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
WO-2012064269-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF Αβ-RELATED DISEASES ASTRAZENECA AB (SE) 2012-05-18 WO disclosed