SCHEMBL24103740

SCHEMBL24103740

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

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.32
▸ EYA3 Q99504 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ PREP P48147 1/20 0.31
▸ CELA1 Q9UNI1 1/20 0.31
▸ NR1H4 Q96RI1 1/20 0.30

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
SCHEMBL25816065 0.89 CYP2C19 (0.30) CYP2C19
SCHEMBL25719653 0.88 EYA3 (0.34) EYA3KDRPREPCELA1
SCHEMBL22680601 0.86 EYA3 (0.39) CYP2C19EYA3KDRPREPCELA1
SCHEMBL24266787 0.83 EYA3 (0.36) CYP2C19EYA3KDRPREPCELA1
SCHEMBL24221837 0.81 CYP2C19 (0.47) CYP2C19EYA3NR1H4
SCHEMBL24102960 0.78 EYA3 (0.42) CYP2C19EYA3NR1H4
SCHEMBL24102976 0.76 CYP2C19 (0.46) CYP2C19EYA3NR1H4
SCHEMBL20718288 0.75 EYA3 (0.55) CYP2C19EYA3NR1H4
SCHEMBL20718309 0.75 EYA3 (0.44) CYP2C19EYA3NR1H4
SCHEMBL20718353 0.74 EYA3 (0.43) CYP2C19EYA3NR1H4

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
WO-2021252630-A1 METHODS FOR TREATING OR PREVENTING CHRONIC KIDNEY DISEASE ARTHROSI THERAPEUTICS, INC. (US) 2021-12-16 — — WO disclosed
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