SCHEMBL27908024

SCHEMBL27908024

FC(F)(F)Oc1ccc(-c2ccccc2)c(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 5/20 0.49
METAP2 P50579 1/20 0.44
CHRM5 P08912 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43
KIF11 P52732 1/20 0.41
IGF2BP2 Q9Y6M1 1/20 0.40
KDR P35968 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
CHRM1 P11229 1/20 0.39
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
BTK Q06187 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37

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
SCHEMBL30081441 0.84 GPR3 (0.54) GPR3CHRM5ALDH1A1MAPK1POLB
SCHEMBL27907854 0.81 ALOX5AP (0.51) GPR3METAP2CHRM5KIF11IGF2BP2
SCHEMBL16429063 0.81 ALOX5 (0.55) GPR3METAP2CHRM5ALDH1A1THRB
SCHEMBL28177887 0.79 SCN5A (0.51) GPR3METAP2CHRM5KIF11CHRM1
SCHEMBL27926260 0.79 GPR3 (0.49) GPR3METAP2CHRM5THRBKIF11
SCHEMBL16099410 0.79 GPR3 (0.49) GPR3METAP2CHRM5ALDH1A1GAA
SCHEMBL4150746 0.79 ALDH1A1 (0.52) GPR3ALDH1A1MAPK1KIF11FFAR1
SCHEMBL17782985 0.78 PTPN1 (0.54) GPR3ALDH1A1MAPK1
SCHEMBL28628830 0.77 METAP2 (0.49) GPR3METAP2CHRM5KIF11IGF2BP2
Water SCHEMBL9853421 0.77 PTPN1 (0.53) GPR3ALDH1A1MAPK1

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-103180300-A Process for producing pyridazinone compound and intermediate thereof SUMITOMO CHEMICAL CO 2013-06-26 CN disclosed