SCHEMBL28010652

SCHEMBL28010652

FC(F)(F)Oc1[c]ccc(OCc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.45
MAOB P27338 6/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
PDK2 Q15119 2/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
BCHE P06276 1/20 0.41
PDK1 Q15118 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
MAOA P21397 1/20 0.40
NSD2 O96028 1/20 0.40
ABL1 P00519 1/20 0.40
PPARG P37231 1/20 0.40
RIN1 Q13671 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
PTGS1 P23219 1/20 0.40

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
SCHEMBL2093026 0.84 ALOX5 (0.53) ALOX5MAOBCYP4F2CYP4A11BCHE
SCHEMBL3948493 0.80 MAOB (0.58) ALOX5MAOBCYP4F2CYP4A11BCHE
SCHEMBL2772599 0.79 MAOB (0.49) ALOX5MAOBCYP4F2CYP4A11BCHE
SCHEMBL622940 0.77 GPR3 (0.41) LMNACYP1A2SLC6A2SLC6A3
SCHEMBL6201987 0.77 MAOB (0.50) ALOX5MAOBCYP4F2CYP4A11BCHE
SCHEMBL28422875 0.76 MAOB (0.62) ALOX5MAOBMRGPRX4PDK2CYP4F2
SCHEMBL920621 0.76 ALOX5 (0.51) ALOX5MAOBCYP4F2CYP4A11BCHE
SCHEMBL27581024 0.75 BCHE (0.47) ALOX5MAOBCYP4F2CYP4A11BCHE
SCHEMBL21268345 0.75 CBFB (0.39) MAOAABL1L3MBTL1CYP1A2CYP2C19
SCHEMBL5784957 0.74 MRGPRX4 (0.63) ALOX5MAOBMRGPRX4BCHEMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104583196-B The method that 1,4-dibasic pyridazine analog and treatment lack relevant disease to SMN 诺华股份有限公司 2016-10-12 CN disclosed
CN-104583196-A 1,4-disubstituted pyridazine analogs and methods for treating SMN-deficiency-related conditions NOVARTIS AG 2015-04-29 CN disclosed