SCHEMBL9828005

SCHEMBL9828005

CCCOCC(C)(C)Oc1ccc(COc2cnn(C(C)(C)C)c(=O)c2Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.42
▸ LMNA P02545 2/20 0.42
▸ 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
▸ HTT P42858 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MAPK1 P28482 2/20 0.34
▸ MAPK14 Q16539 3/20 0.33
▸ NPBWR1 P48145 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32

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
SCHEMBL11938602 0.88 SMN1; SMN2 (0.46) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL10565137 0.87 SMN1; SMN2 (0.44) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL21511186 0.87 SMN1; SMN2 (0.47) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL16901904 0.85 SMN1; SMN2 (0.43) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL12722376 0.84 SMN1; SMN2 (0.47) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL16901896 0.84 SMN1; SMN2 (0.43) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL18672266 0.83 SMN1; SMN2 (0.53) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL9829249 0.83 SMN1; SMN2 (0.41) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL16901911 0.82 SMN1; SMN2 (0.45) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL9827494 0.82 SMN1; SMN2 (0.45) SMN1; SMN2LMNANPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0199281-B1 PYRIDAZINONE DERIVATIVES, PREPARATION THEREOF, AND INSECTICIDAL, ACARICIDAL, NEMATICIDAL, FUNGICIDAL COMPOSITIONS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1991-07-10 — — EP disclosed
US-4837217-A Pyridazinone derivatives, preparation thereof, and insecticidal, acaricidal, nematicidal, fungicidal compositions NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1989-06-06 — — US disclosed
EP-0199281-A2 Pyridazinone derivatives, preparation thereof, and insecticidal, acaricidal, nematicidal, fungicidal compositions NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1986-10-29 — — EP disclosed
Send feedback