SCHEMBL7562805

SCHEMBL7562805

COc1ccc(CCl)c(I)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.47
▸ GFER P55789 1/20 0.47
▸ DYRK1A Q13627 1/20 0.45
▸ APLNR P35414 1/20 0.43
▸ ESR1 P03372 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA7 P43166 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CA14 Q9ULX7 2/20 0.39
▸ IDO1 P14902 2/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ HTR2A P28223 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
SCHEMBL9676713 0.81 ALDH1A1 (0.51) ALDH1A1GFERDYRK1AAPLNRCA12
SCHEMBL1571408 0.80 APLNR (0.43) APLNRESR1CYP19A1ESR2CA12
SCHEMBL590943 0.78 APLNR (0.63) ALDH1A1GFERDYRK1AAPLNRCA12
SCHEMBL6804542 0.78 ALDH1A1 (0.49) ALDH1A1GFERDYRK1AAPLNRESR1
SCHEMBL4510419 0.78 ALDH1A1 (0.53) ALDH1A1GFERDYRK1AAPLNRCA12
SCHEMBL2075977 0.78 ALDH1A1 (0.49) ALDH1A1GFERDYRK1AAPLNRCA12
SCHEMBL12516104 0.77 APLNR (0.41) APLNRESR1CYP19A1ESR2CA12
SCHEMBL10607506 0.76 DYRK1A (0.49) ALDH1A1GFERDYRK1AAPLNRIDO1
SCHEMBL27865105 0.76 POLB (0.57) ALDH1A1GFERESR1CYP19A1ESR2
SCHEMBL489792 0.76 ALDH1A1 (0.47) ALDH1A1GFERDYRK1AAPLNRCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3668861-A1 NOVEL SULFONAMIDE CARBOXAMIDE COMPOUNDS Inflazome Limited (IE) 2020-06-24 — — EP disclosed
EP-3661925-A1 NOVEL SULFONAMIDE CARBOXAMIDE COMPOUNDS Inflazome Limited (IE) 2020-06-10 — — EP disclosed
WO-2019034686-A1 NOVEL SULFONAMIDE CARBOXAMIDE COMPOUNDS INFLAZOME LIMITED (IE) 2019-02-21 — — WO disclosed
WO-2019008025-A1 NOVEL SULFONAMIDE CARBOXAMIDE COMPOUNDS INFLAZOME LIMITED (IE) 2019-01-10 — — WO disclosed
EP-1232164-A1 PRE-CURSOR FOR RADIODIAGNOSTIC AGENTS AND THE PRODUCTION THEREOF ABX Advanced Biochemical Compounds Biomedizinische Forschungsreagenzien GmbH (DE) 2002-08-21 — — EP disclosed
WO-2001027122-A1 PRE-CURSOR FOR RADIODIAGNOSTIC AGENTS AND THE PRODUCTION THEREOF ABX ADVANCED BIOCHEMICAL COMPOUNDS BIOMEDIZINISCHE FORSCHUNGSREAGENZIEN GMBH (DE) 2001-04-19 — — WO disclosed
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