SCHEMBL9237673

SCHEMBL9237673

CC(C)(C)n1ncc(OCc2cccc(-c3ccccc3)c2)c(Cl)c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
LMNA P02545 2/20 0.52
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
ATM Q13315 1/20 0.47
MAPK14 Q16539 5/20 0.43
NPSR1 Q6W5P4 1/20 0.42
GRM2 Q14416 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
GALR3 O60755 1/20 0.42
NR2F2 P24468 1/20 0.42
GPR183 P32249 1/20 0.42
KMT2A Q03164 1/20 0.42
GPR35 Q9HC97 1/20 0.42
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
MRGPRX4 Q96LA9 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
SCHEMBL9237667 0.90 SMN1; SMN2 (0.50) SMN1; SMN2LMNAHPGDHTTATM
SCHEMBL9233810 0.90 SMN1; SMN2 (0.54) SMN1; SMN2LMNAHPGDHTTATM
SCHEMBL10927758 0.87 SMN1; SMN2 (0.61) SMN1; SMN2LMNAHPGDHTTATM
SCHEMBL15567210 0.85 SMN1; SMN2 (0.53) SMN1; SMN2LMNAHPGDHTTATM
SCHEMBL9232303 0.85 SMN1; SMN2 (0.53) SMN1; SMN2LMNAHPGDHTTATM
SCHEMBL15566119 0.85 SMN1; SMN2 (0.53) SMN1; SMN2LMNAHPGDHTTATM
SCHEMBL9240320 0.84 SMN1; SMN2 (0.51) SMN1; SMN2LMNAHPGDHTTATM
SCHEMBL18672266 0.83 SMN1; SMN2 (0.53) SMN1; SMN2LMNAHPGDHTTATM
SCHEMBL9233820 0.83 SMN1; SMN2 (0.53) SMN1; SMN2LMNAHPGDHTTATM
SCHEMBL15596692 0.83 SMN1; SMN2 (0.53) SMN1; SMN2LMNAHPGDHTTATM

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
EP-0665223-A1 Antitumor agent, novel 3(2H)-pyridazinone derivatives and their preparation TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-08-02 EP disclosed