SCHEMBL11559523

SCHEMBL11559523

CCc1oc2ccccc2c1C(=O)c1ccc(Br)c(S(N)(=O)=O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 7/20 0.64
▸ EYA3 Q99504 6/20 0.64
▸ CYP2C9 P11712 6/20 0.64
▸ SLC22A12 Q96S37 5/20 0.64
▸ NR1H4 Q96RI1 4/20 0.64
▸ TTR P02766 4/20 0.64
▸ MEN1 O00255 2/20 0.64
▸ ABCB11 O95342 2/20 0.64
▸ LMNA P02545 2/20 0.64
▸ PGR P06401 2/20 0.64
▸ ADRA2A P08913 2/20 0.64
▸ TBXA2R P21731 2/20 0.64
▸ OPRM1 P35372 2/20 0.64
▸ SLC6A3 Q01959 2/20 0.64
▸ KMT2A Q03164 2/20 0.64
▸ EYA2 O00167 1/20 0.64
▸ ABCC4 O15439 1/20 0.64
▸ PLIN1 O60240 1/20 0.64
▸ NR1I2 O75469 1/20 0.64
▸ USP2 O75604 1/20 0.64

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
SCHEMBL11556111 0.88 CYP2C19 (0.60) CYP2C19EYA3CYP2C9SLC22A12NR1H4
SCHEMBL11555712 0.85 EYA3 (0.55) CYP2C19EYA3CYP2C9SLC22A12NR1H4
SCHEMBL11555575 0.85 CYP2C19 (0.62) CYP2C19EYA3CYP2C9SLC22A12NR1H4
SCHEMBL1287583 0.83 CYP2C19 (0.77) CYP2C19EYA3CYP2C9SLC22A12NR1H4
SCHEMBL11552492 0.79 EYA3 (0.52) CYP2C19EYA3CYP2C9SLC22A12NR1H4
Benzbromarone SCHEMBL48993 0.78 SLC22A12 (1.00) CYP2C19EYA3CYP2C9SLC22A12NR1H4
SCHEMBL18058593 0.78 CYP2C19 (0.81) CYP2C19EYA3CYP2C9SLC22A12NR1H4
Benzbromarone SCHEMBL29361528 0.78 SLC22A12 (1.00) CYP2C19EYA3CYP2C9SLC22A12NR1H4
Benzbromarone SCHEMBL19205474 0.78 SLC22A12 (1.00) CYP2C19EYA3CYP2C9SLC22A12NR1H4
Hydrochloric Acid SCHEMBL10615321 0.78 EYA3 (0.64) CYP2C19EYA3CYP2C9SLC22A12NR1H4

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
US-4156732-A Certain pharmaceutical sulfamoylbenzoyl benzofurans, benzothiophenes, and indoles HOECHST AKTIENGESELLSCHAFT (DE) 1979-05-29 — — US disclosed
EP-0000128-A1 Sulfamoylaryl ketones, process for their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1979-01-10 — — EP disclosed
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