SCHEMBL11089558

SCHEMBL11089558

O=C1COC(c2ccccn2)c2cc(Cl)ccc2N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM5 Q9NZQ8 1/20 0.43
MAPT P10636 2/20 0.43
TSHR P16473 2/20 0.43
CASP1 P29466 2/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
SLC8B1 Q6J4K2 1/20 0.43
ATM Q13315 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL24783320 0.76 CRBN (0.54) MAPTTSHRMEN1KMT2ADDB1
SCHEMBL11079063 0.75 MAPT (0.45) MAPTTSHRCASP1TP53CYP1A2
SCHEMBL11092005 0.70 MAPT (0.40) MAPTTSHRCASP1TP53CYP1A2
SCHEMBL11091982 0.68 OPRK1 (0.41) TRPM5MAPTOPRK1PDE4DGFER
SCHEMBL11660617 0.68 MEN1 (0.49) TRPM5MAPTTSHRCASP1TP53
SCHEMBL26744897 0.66 DDB1 (0.48) MAPTTSHRCASP1MEN1KMT2A
SCHEMBL4374687 0.66 LMNA (0.39) MAPTTSHRCASP1TP53CYP1A2
SCHEMBL5568413 0.65 GSK3B (0.73) TRPM5TSHRCASP1TP53CYP2C19
SCHEMBL6907817 0.64 ALDH1A1 (0.46) MAPTTSHRMEN1KMT2ADDB1
SCHEMBL9525760 0.63 TRPM5 (0.42) TRPM5TP53DDB1CRBNSMN1; SMN2

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-4476133-A CENTRAL NERVOUS SYSTEM DISORDERS SHIONOGI & CO., LTD. (JP) 1984-10-09 US disclosed
US-4374842-A CENTRAL NERVOUS SYSTEM SHIONOGI & CO., LTD. (JP) 1983-02-22 US disclosed