SCHEMBL29557004

SCHEMBL29557004

N#Cc1cc(Cl)cc(C(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.34
CYP1A2 P05177 1/20 0.34
VCAM1 P19320 2/20 0.33
ACLY P53396 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
EPAS1 Q99814 1/20 0.31

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
SCHEMBL23464281 1.00 GRM5 (0.34) GRM5CYP1A2VCAM1ACLYCYP11B1
SCHEMBL1890750 0.84 VCAM1 (0.38) VCAM1CYP11B1CYP11B2EPAS1
SCHEMBL13141370 0.79 GABRA1 (0.34) GRM5VCAM1
SCHEMBL1890331 0.77 EPAS1 (0.38) GRM5CYP11B1CYP11B2EPAS1
SCHEMBL29639654 0.77 EPAS1 (0.38) GRM5CYP11B1CYP11B2EPAS1
SCHEMBL16956189 0.77 TSHR (0.50)
SCHEMBL5852713 0.77 VCAM1 (0.43) GRM5CYP1A2VCAM1MAOAMAOB
SCHEMBL633226 0.77 TSHR (0.50) GRM5CYP1A2VCAM1MAOAMAOB
SCHEMBL16957579 0.76 GRM5 (0.33) GRM5VCAM1
SCHEMBL27851618 0.76 CNR1 (0.36)

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 5 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-114761402-A Novel heteroaryl-triazole compounds as pesticides 拜耳公司 2022-07-15 CN disclosed
CN-114502545-A Novel heteroaryl-triazole compounds as pesticides 拜耳公司 2022-05-13 CN disclosed
CN-114423748-A Novel heteroaryl triazole compounds as pesticides 拜耳公司 2022-04-29 CN disclosed