SCHEMBL27468612

SCHEMBL27468612

COC(=O)c1cccc(C(=O)Oc2ccc(-c3ccccc3)c(C#N)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
GRM5 P41594 1/20 0.46
EGFR P00533 1/20 0.45
PRSS1 P07477 1/20 0.45
ACR P10323 1/20 0.45
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
PTGS2 P35354 1/20 0.44
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
NEK1 Q96PY6 1/20 0.42
CA9 Q16790 1/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL404224 0.85 EGFR (0.57) MAPTGRM5EGFRPTGS2NEK1
SCHEMBL7823524 0.78 RAB9A (0.48) MAPTGABRG2GABRB3GABRA5GABRA3
SCHEMBL7752770 0.77 PRSS1 (0.66) MAPTTDP1PRSS1ACRESR1
SCHEMBL1330582 0.77 KDM4E (0.52) GRM5EGFRGABRG2GABRB3GABRA5
SCHEMBL8155327 0.77 PTGS2 (0.54) MAPTGRM5EGFRPTGS2NEK1
SCHEMBL28577777 0.76 EGFR (0.52) MAPTTDP1GRM5EGFRPTGS2
SCHEMBL10630065 0.76 TSHR (0.62) MAPTTDP1PRSS1ACRGABRG2
Hydrochloric Acid SCHEMBL31460385 0.76 MEN1 (0.42) MAPTTDP1GRM5PRSS1ACR
SCHEMBL28577779 0.76 EGFR (0.49) GRM5EGFRPTGS2
SCHEMBL29187684 0.75 ELANE (0.49) MAPTGRM5MEN1KMT2ARAB9A

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
CN-1140450-A Potassium salts of biphenylmethane derivatives and medicaments containing them WAKUNAGA SEIYAKU KK (JP) 1997-01-15 CN disclosed