SCHEMBL22680778

SCHEMBL22680778

Bc1c(B)c(B)c2c(C(=O)c3cc(Br)c(OC)c(Br)c3)c(CC)oc2c1B

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 3/20 0.60
▸ SLC22A12 Q96S37 10/20 0.47
▸ TTR P02766 6/20 0.44
▸ NR1H4 Q96RI1 4/20 0.43
▸ EYA3 Q99504 3/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ EYA2 O00167 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ABCC4 O15439 1/20 0.43
▸ PLIN1 O60240 1/20 0.43
▸ NR1I2 O75469 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ ALB P02768 1/20 0.43
▸ ESR1 P03372 1/20 0.43
▸ NR3C1 P04150 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ PGR P06401 1/20 0.43

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
SCHEMBL24221837 0.88 CYP2C19 (0.47) CYP2C19SLC22A12TTRNR1H4EYA3
SCHEMBL25815357 0.85 SLC22A12 (0.52) CYP2C19SLC22A12TTRNR1H4EYA3
SCHEMBL24102976 0.83 CYP2C19 (0.46) CYP2C19SLC22A12TTRNR1H4EYA3
SCHEMBL25815944 0.81 SLC22A12 (0.56) CYP2C19SLC22A12TTRNR1H4EYA3
SCHEMBL24221834 0.79 SLC22A12 (0.57) CYP2C19SLC22A12EYA3CYP2C9MEN1
SCHEMBL25815931 0.78 CYP2C19 (0.41) CYP2C19SLC22A12TTRNR1H4EYA3
SCHEMBL24103345 0.78 SLC22A12 (0.53) CYP2C19SLC22A12TTRNR1H4EYA3
SCHEMBL22680420 0.76 SLC22A12 (0.51) CYP2C19SLC22A12TTRNR1H4EYA3
SCHEMBL22680544 0.76 SLC22A12 (0.53) CYP2C19SLC22A12TTRNR1H4EYA3
SCHEMBL1287909 0.75 CYP2C19 (1.00) CYP2C19SLC22A12TTRNR1H4EYA3

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
WO-2021252630-A1 METHODS FOR TREATING OR PREVENTING CHRONIC KIDNEY DISEASE ARTHROSI THERAPEUTICS, INC. (US) 2021-12-16 — — WO disclosed
WO-2020232156-A1 COMPOUND FOR TREATING GOUT OR HYPERURICEMIA ARTHROSI THERAPEUTICS, INC. (US) 2020-11-19 — — WO disclosed
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