SCHEMBL30257529

SCHEMBL30257529

Cn1nc(C2CC2)cc1Oc1cc(C#N)ccc1-c1ncc([C@@H](O)CN)cn1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 7/20 0.33
CYP19A1 P11511 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
FEN1 P39748 6/20 0.31
ALOX5AP P20292 5/20 0.31
CHEK1 O14757 1/20 0.31
PTH1R Q03431 1/20 0.30
GRM5 P41594 1/20 0.30
AXL P30530 1/20 0.30
TYRO3 Q06418 1/20 0.30
MERTK Q12866 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
DGAT2 Q96PD7 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
SCHEMBL25202242 1.00 NR3C1 (0.33) NR3C1CYP19A1CYP11B1CYP11B2FEN1
SCHEMBL25267103 1.00 NR3C1 (0.33) NR3C1CYP19A1CYP11B1CYP11B2FEN1
SCHEMBL25554251 0.97 FEN1 (0.35) NR3C1CYP19A1CYP11B1CYP11B2FEN1
SCHEMBL30256925 0.97 FEN1 (0.35) NR3C1CYP19A1CYP11B1CYP11B2FEN1
SCHEMBL30257336 0.91 AXL (0.32) NR3C1FEN1ALOX5APPTH1RGRM5
SCHEMBL25556047 0.91 AXL (0.32) NR3C1FEN1ALOX5APPTH1RGRM5
SCHEMBL25556046 0.91 AXL (0.32) NR3C1FEN1ALOX5APPTH1RGRM5
SCHEMBL30257072 0.90 KDM1A (0.35) NR3C1CYP19A1CYP11B1CYP11B2FEN1
SCHEMBL30256980 0.90 KDM1A (0.35) NR3C1CYP19A1CYP11B1CYP11B2FEN1
SCHEMBL25554426 0.90 KDM1A (0.35) NR3C1CYP19A1CYP11B1CYP11B2FEN1

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-4137481-A1 ARYL OR HETEROARYL DERIVATIVE Teijin Pharma Limited (JP) 2023-02-22 EP disclosed