SCHEMBL9239206

SCHEMBL9239206

CC(C)(C)n1ncc(OCc2ccc(C(=O)c3ccc(F)cc3)cc2)c(Cl)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.44
SMN1; SMN2 Q16637 7/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 3/20 0.43
ATM Q13315 2/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 6/20 0.43
NPC1 O15118 5/20 0.43
NPSR1 Q6W5P4 3/20 0.43
ALDH1A1 P00352 2/20 0.43
JAK2 O60674 1/20 0.43
S1PR2 O95136 1/20 0.43
MAPT P10636 1/20 0.43
XBP1 P17861 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
GALR3 O60755 1/20 0.43
NR2F2 P24468 1/20 0.43
GPR183 P32249 1/20 0.43
GPR35 Q9HC97 1/20 0.43

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
SCHEMBL9239262 0.91 SMN1; SMN2 (0.46) SMN1; SMN2LMNAHTTATMHPGD
SCHEMBL10933551 0.90 ATM (0.50) MAPK14SMN1; SMN2LMNAHTTATM
SCHEMBL15567329 0.89 MAPK14 (0.47) MAPK14SMN1; SMN2LMNAHTTATM
SCHEMBL9288437 0.87 RXRA (0.50) SMN1; SMN2LMNAHTTATMHPGD
SCHEMBL14768984 0.87 MAOB (0.46) SMN1; SMN2LMNAHTTATMHPGD
SCHEMBL18672266 0.86 SMN1; SMN2 (0.53) MAPK14SMN1; SMN2LMNAHTTATM
SCHEMBL9240935 0.85 MAPK14 (0.44) MAPK14SMN1; SMN2LMNAHTTATM
SCHEMBL14760814 0.85 RAB9A (0.46) SMN1; SMN2LMNAHTTATMHPGD
SCHEMBL9237101 0.84 SMN1; SMN2 (0.43) SMN1; SMN2LMNAHTTATMHPGD
SCHEMBL15596655 0.83 SMN1; SMN2 (0.41) MAPK14SMN1; SMN2LMNAHTTATM

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