SCHEMBL8856034

SCHEMBL8856034

Cc1ccc(C)c(OCc2ccccc2-n2nnn(C)c2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 2/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
LMNA P02545 3/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
TYMS P04818 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 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
SCHEMBL17616631 0.91 L3MBTL1 (0.44) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL17616597 0.89 MRGPRX4 (0.43) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL17616622 0.88 MAPT (0.35) MAPTRAB9ANPSR1ALDH1A1PTGDR2
SCHEMBL17616574 0.87 L3MBTL1 (0.40) MAPTNPC1RAB9APOLBLMNA
SCHEMBL17616576 0.86 L3MBTL1 (0.43) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL17616570 0.85 PTGER1 (0.37) MAPTNPC1SMN1; SMN2KMT2AMEN1
SCHEMBL17616625 0.84 MRGPRX4 (0.38) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL16273764 0.84 PTGDR2 (0.33) PTGDR2
SCHEMBL16385265 0.84 ATM (0.39) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL17616633 0.84 MRGPRX4 (0.37) MAPTNPC1RAB9ASMN1; SMN2POLB

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-9208565-A None JP disclosed
JP-H09208565-A TETRAZOLINONE DERIVATIVE, ITS USE AND ITS PRODUCTION INTERMEDIATE SUMITOMO CHEM CO LTD 1997-08-12 JP disclosed