SCHEMBL8282674

SCHEMBL8282674

Cc1ccc(Oc2cnn(C(C)(C)C)c(=O)c2Cl)cc1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.73
▸ LMNA P02545 3/20 0.73
▸ NPSR1 Q6W5P4 2/20 0.65
▸ NPBWR1 P48145 9/20 0.60
▸ MCHR1 Q99705 8/20 0.60
▸ ATM Q13315 2/20 0.56
▸ HPGD P15428 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ ALDH1A1 P00352 5/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ NPC1 O15118 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
SCHEMBL15380494 0.88 SMN1; SMN2 (0.64) SMN1; SMN2LMNANPSR1NPBWR1MCHR1
SCHEMBL16901934 0.81 SMN1; SMN2 (0.57) SMN1; SMN2LMNANPSR1NPBWR1MCHR1
SCHEMBL15566993 0.80 SMN1; SMN2 (0.56) SMN1; SMN2LMNANPSR1NPBWR1MCHR1
SCHEMBL15566368 0.80 SMN1; SMN2 (0.56) SMN1; SMN2LMNANPSR1NPBWR1MCHR1
SCHEMBL13694257 0.80 SMN1; SMN2 (0.55) SMN1; SMN2LMNANPSR1NPBWR1MCHR1
SCHEMBL10849726 0.79 SMN1; SMN2 (0.57) SMN1; SMN2LMNANPSR1NPBWR1MCHR1
SCHEMBL15596841 0.78 SMN1; SMN2 (0.53) SMN1; SMN2LMNANPSR1NPBWR1MCHR1
SCHEMBL21511152 0.77 SMN1; SMN2 (0.57) SMN1; SMN2LMNANPSR1NPBWR1MCHR1
SCHEMBL16901881 0.76 SMN1; SMN2 (0.67) SMN1; SMN2LMNANPSR1NPBWR1MCHR1
SCHEMBL21442499 0.76 SMN1; SMN2 (0.53) SMN1; SMN2LMNANPSR1NPBWR1MCHR1

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
WO-2005077915-A1 PYRIDAZINONES AS ANTAGONISTS OF A4 INTEGRINS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-08-25 — — WO disclosed
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