SCHEMBL13694257

SCHEMBL13694257

Cc1ccc(COc2cnn(C(C)(C)C)c(=O)c2Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 8/20 0.55
▸ LMNA P02545 2/20 0.55
▸ RAB9A P51151 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ GALR3 O60755 1/20 0.49
▸ NR2F2 P24468 1/20 0.49
▸ GPR183 P32249 1/20 0.49
▸ GPR35 Q9HC97 1/20 0.49
▸ HTT P42858 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ ATM Q13315 1/20 0.47
▸ ALDH1A1 P00352 6/20 0.44
▸ NPBWR1 P48145 2/20 0.42
▸ MCHR1 Q99705 2/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39

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
SCHEMBL16901922 0.96 SMN1; SMN2 (0.52) SMN1; SMN2LMNARAB9AMEN1KMT2A
SCHEMBL18672266 0.95 SMN1; SMN2 (0.53) SMN1; SMN2LMNARAB9AMEN1KMT2A
SCHEMBL14768943 0.90 NPC1 (0.52) SMN1; SMN2LMNARAB9AMEN1KMT2A
SCHEMBL18672249 0.90 SMN1; SMN2 (0.49) SMN1; SMN2LMNARAB9AMEN1KMT2A
SCHEMBL18672246 0.89 SMN1; SMN2 (0.48) SMN1; SMN2LMNARAB9AMEN1KMT2A
SCHEMBL14761331 0.89 SMN1; SMN2 (0.48) SMN1; SMN2LMNARAB9AMEN1KMT2A
SCHEMBL15596642 0.89 SMN1; SMN2 (0.48) SMN1; SMN2LMNARAB9AMEN1KMT2A
SCHEMBL9232300 0.89 RAB9A (0.63) SMN1; SMN2LMNARAB9AMEN1KMT2A
SCHEMBL14760853 0.89 SMN1; SMN2 (0.48) SMN1; SMN2LMNARAB9AMEN1KMT2A
SCHEMBL9233810 0.88 SMN1; SMN2 (0.54) SMN1; SMN2LMNARAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009110984-A2 CONTRAST AGENTS FOR APPLICATIONS INCLUDING PERFUSION IMAGING LANTHEUS MEDICAL IMAGING, INC. (US) 2009-09-11 — — WO disclosed
WO-2009108376-A2 CONTRAST AGENTS FOR APPLICATIONS INCLUDING PERFUSION IMAGING LANTHEUS MEDICAL IMAGING, INC. (US) 2009-09-03 — — WO disclosed
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