SCHEMBL7778429

SCHEMBL7778429

Nc1c(C(=O)O)ccc(F)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
TSHR P16473 2/20 0.44
CASP1 P29466 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
G6PD P11413 1/20 0.42
CASP7 P55210 1/20 0.42
CASP6 P55212 1/20 0.42
KEAP1 Q14145 2/20 0.41
NFE2L2 Q16236 1/20 0.40
GRIK1 P39086 1/20 0.40
ALDH1A1 P00352 5/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
ADRA2A P08913 1/20 0.39
CLCN2 P51788 1/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL109128 0.81 TSHR (0.48) CYP3A4TSHRCASP1SMN1; SMN2KEAP1
SCHEMBL3667246 0.79 TSHR (0.52) CYP3A4TSHRCASP1SMN1; SMN2G6PD
SCHEMBL364951 0.79 TSHR (0.47) CYP3A4TSHRCASP1SMN1; SMN2KEAP1
SCHEMBL29488311 0.79 TSHR (0.47) CYP3A4TSHRCASP1SMN1; SMN2KEAP1
SCHEMBL6754768 0.79 CES2 (0.50) CYP3A4TSHRCASP1SMN1; SMN2G6PD
SCHEMBL1004868 0.78 ALB (0.53) CYP3A4TSHRCASP1SMN1; SMN2G6PD
SCHEMBL15878727 0.78 ALB (0.53) TSHRCASP1SMN1; SMN2KEAP1NFE2L2
SCHEMBL17651620 0.78 CASP7 (0.44) CYP3A4TSHRCASP1SMN1; SMN2G6PD
Hydrochloric Acid SCHEMBL5260757 0.78 CES2 (0.48) CYP3A4TSHRCASP1SMN1; SMN2G6PD
SCHEMBL3358680 0.76 G6PD (0.42) CYP3A4TSHRCASP1SMN1; SMN2G6PD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0781767-B1 Process for producing isatoic anhydrides SUMITOMO CHEMICAL CO (JP) 2001-09-05 EP disclosed
US-5981749-A Process for producing isatoic anhydrides SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-11-09 US disclosed
US-5973145-A Process for producing isatoic anhydrides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-10-26 US disclosed
US-5795984-A Process for producing isatoic anhydrides SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-08-18 US disclosed
EP-0781767-A1 Process for producing isatoic anhydrides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-02 EP disclosed