SCHEMBL30207757

SCHEMBL30207757

CN(C)c1c(C(=O)O)cnc2c(-c3cccc(Cl)c3Cl)c(F)ccc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HAVCR2 Q8TDQ0 1/20 0.41
▸ CNR2 P34972 2/20 0.39
▸ TSHR P16473 1/20 0.36
▸ GRIN2B Q13224 2/20 0.35
▸ PRKAG1 P54619 1/20 0.34
▸ PRKAA1 Q13131 1/20 0.34
▸ PRKAB1 Q9Y478 1/20 0.34
▸ PTPN11 Q06124 3/20 0.34
▸ AURKA O14965 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ ACLY P53396 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ DHODH Q02127 1/20 0.34
▸ FABP3 P05413 2/20 0.33
▸ FABP4 P15090 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL26167974 1.00 HAVCR2 (0.41) HAVCR2CNR2TSHRGRIN2BPRKAG1
SCHEMBL26167975 0.86 MAPT (0.47) POLBMAPT
SCHEMBL30207719 0.86 MAPT (0.47) POLBMAPT
SCHEMBL25244008 0.85 FABP3 (0.36) GRIN2BPTPN11FABP3FABP4
SCHEMBL30207675 0.82 PTPN11 (0.38) PTPN11
SCHEMBL26167978 0.82 PTPN11 (0.38) PTPN11
SCHEMBL30824241 0.81 HAVCR2 (0.43) HAVCR2CNR2TSHRPRKAG1PRKAA1
SCHEMBL20600167 0.81 HAVCR2 (0.43) HAVCR2CNR2TSHRPRKAG1PRKAA1
SCHEMBL26167946 0.78 DHODH (0.33) GRIN2BPRKAG1PRKAA1PRKAB1DHODH
SCHEMBL30207756 0.78 HSP90AA1 (0.37) AURKBEGFR

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
CN-115667221-A Substituted fused oxazines as insect repellent compounds 拜耳动物保健有限责任公司 2023-01-31 — — CN disclosed
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