SCHEMBL10445003

SCHEMBL10445003

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.43
HPGD P15428 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
GALR3 O60755 1/20 0.40
NR2F2 P24468 1/20 0.40
GPR183 P32249 1/20 0.40
KMT2A Q03164 1/20 0.40
GPR35 Q9HC97 1/20 0.40
MAPK14 Q16539 5/20 0.37
TP53 P04637 1/20 0.36
MAPK1 P28482 3/20 0.36
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
ITGB7 P26010 1/20 0.35

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
SCHEMBL10445002 0.88 SMN1; SMN2 (0.47) SMN1; SMN2LMNAHTTHPGDATM
SCHEMBL15567210 0.85 SMN1; SMN2 (0.53) SMN1; SMN2LMNAHTTHPGDATM
SCHEMBL15566119 0.83 SMN1; SMN2 (0.53) SMN1; SMN2LMNAHTTHPGDATM
SCHEMBL9232303 0.83 SMN1; SMN2 (0.53) SMN1; SMN2LMNAHTTHPGDATM
SCHEMBL9233810 0.82 SMN1; SMN2 (0.54) SMN1; SMN2LMNAHTTHPGDATM
SCHEMBL9237673 0.82 SMN1; SMN2 (0.52) SMN1; SMN2LMNAHTTHPGDATM
SCHEMBL15565244 0.81 SMN1; SMN2 (0.49) SMN1; SMN2LMNAHTTHPGDATM
SCHEMBL18672266 0.81 SMN1; SMN2 (0.53) SMN1; SMN2LMNAHTTHPGDATM
SCHEMBL15596803 0.80 MRGPRX4 (0.53) SMN1; SMN2LMNAHTTHPGDATM
SCHEMBL15596692 0.80 SMN1; SMN2 (0.53) SMN1; SMN2LMNAHTTHPGDATM

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-0393641-A2 Pyridazinone derivatives OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1990-10-24 EP disclosed