SCHEMBL9817826

SCHEMBL9817826

Cc1nn(C)c(Oc2ccccn2)c1Sc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.44
MAPT P10636 6/20 0.44
GAA P10253 2/20 0.44
VDR P11473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 2/20 0.39
MAPK1 P28482 2/20 0.39
TSHR P16473 1/20 0.39
GRM5 P41594 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SLC6A4 P31645 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
POLB P06746 1/20 0.36
FAAH O00519 1/20 0.36

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
SCHEMBL9479867 0.83 MAPT (0.37) MAPTL3MBTL1LMNATSHRSMN1; SMN2
SCHEMBL9481321 0.79 MAPT (0.43) TP53MAPTGAAVDRLMNA
SCHEMBL9476628 0.74 FPR2 (0.37) TP53MAPTGAAVDRLMNA
SCHEMBL9192786 0.74 LMNA (0.43) TP53MAPTGAAVDRL3MBTL1
SCHEMBL9197914 0.73 TP53 (0.49) TP53MAPTGAAVDRL3MBTL1
SCHEMBL9440015 0.72 TP53 (0.43) TP53MAPTGAAVDRL3MBTL1
SCHEMBL9571823 0.72 TP53 (0.42) TP53MAPTGAAVDRL3MBTL1
SCHEMBL9201115 0.72 TP53 (0.42) TP53MAPTGAAVDRL3MBTL1
SCHEMBL5846329 0.70 GAA (0.44) TP53MAPTGAAVDRL3MBTL1
SCHEMBL9867970 0.69 SMN1; SMN2 (0.56) MAPTGAALMNATSHRGRM5

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
JP-3141276-A None JP disclosed
JP-H03141276-A SUBSTITUTED PYRAZOLE DERIVATIVE AND FUNGICIDE FOR AGRICULTURAL AND HORTICULTURAL USE NISSAN CHEM IND LTD 1991-06-17 JP disclosed