SCHEMBL29639672

SCHEMBL29639672

O=C(O)c1cc(Br)cc(C(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.44
POLB P06746 2/20 0.42
HCAR2 Q8TDS4 1/20 0.42
TTR P02766 2/20 0.42
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
SRD5A1 P18405 1/20 0.36
SRD5A2 P31213 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
TPMT P51580 4/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL28097872 0.85 DAO (0.47) DAOTTRCA12CA1CA2
SCHEMBL31430971 0.80 FABP3 (0.47) POLBHCAR2TTRCA12CA1
SCHEMBL15119369 0.80 FABP3 (0.47) POLBHCAR2TTRCA12CA1
SCHEMBL3067954 0.78 POLB (0.38) POLBHCAR2TTRCA12CA1
SCHEMBL3067956 0.78 POLB (0.38) POLBHCAR2TTRCA12CA1
SCHEMBL3067961 0.78 POLB (0.38) POLBHCAR2TTRCA12CA1
SCHEMBL23501889 0.78 TTR (0.56) DAOPOLBHCAR2TTRCA12
SCHEMBL475757 0.78 TTR (0.56) DAOPOLBHCAR2TTRCA12
SCHEMBL8361 0.78 TTR (0.56) DAOPOLBHCAR2TTRCA12
SCHEMBL24851931 0.78 HCAR1 (0.55) DAOHCAR2TTRCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118561817-A Novel heteroaryl-triazole compounds as pesticides 拜耳公司 2024-08-30 CN disclosed
CN-118496198-A Novel heteroaryl-triazole compounds as pesticides 拜耳公司 2024-08-16 CN disclosed
CN-114502545-A Novel heteroaryl-triazole compounds as pesticides 拜耳公司 2022-05-13 CN disclosed