SCHEMBL28896099

SCHEMBL28896099

COc1cccc(-c2c(C#Cc3cccc(O)c3)cc(N)cc2C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN6 P29350 1/20 0.44
▸ PTPN11 Q06124 1/20 0.44
▸ PTPN22 Q9Y2R2 1/20 0.44
▸ GPR35 Q9HC97 2/20 0.42
▸ HAO1 Q9UJM8 2/20 0.41
▸ FFAR1 O14842 2/20 0.40
▸ DHODH Q02127 1/20 0.40
▸ CA12 O43570 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ VCP P55072 1/20 0.37
▸ FNTA P49354 1/20 0.37
▸ FNTB P49356 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ IKBKB O14920 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
SCHEMBL16720112 0.79 FFAR1 (0.43) PTPN6PTPN11PTPN22GPR35HAO1
SCHEMBL16720506 0.78 GPR35 (0.48) PTPN6PTPN11PTPN22GPR35HAO1
SCHEMBL16719515 0.76 KDM4E (0.40) PTPN6PTPN11PTPN22FFAR1CA12
SCHEMBL16719707 0.75 FFAR1 (0.40) PTPN6PTPN11PTPN22HAO1FFAR1
SCHEMBL16720126 0.75 FFAR1 (0.44) PTPN6PTPN11PTPN22FFAR1DHODH
SCHEMBL27952694 0.72 GRM5 (0.55) HAO1FFAR1CA12CA1CA2
SCHEMBL18125291 0.71 FFAR1 (0.37) PTPN6PTPN11FFAR1CA12CA1
SCHEMBL16720454 0.70 PARP1 (0.46) FFAR1DHODHCA12CA1CA2
SCHEMBL16720280 0.69 G6PD (0.47) PTPN6PTPN11FFAR1CA12CA1
SCHEMBL28418395 0.69 FFAR1 (0.46) PTPN6PTPN11PTPN22HAO1FFAR1

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-105934425-B EBNA1 inhibitors and methods of use thereof 威斯塔解剖学和生物学研究所 2020-08-07 — — CN disclosed
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