SCHEMBL21511152

SCHEMBL21511152

COc1cnn(C(C)(C)C)c(=O)c1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 8/20 0.57
▸ LMNA P02545 2/20 0.57
▸ HTT P42858 3/20 0.54
▸ ATM Q13315 2/20 0.54
▸ HPGD P15428 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.53
▸ RAB9A P51151 4/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ GALR3 O60755 1/20 0.47
▸ NR2F2 P24468 1/20 0.47
▸ GPR183 P32249 1/20 0.47
▸ GPR35 Q9HC97 1/20 0.47
▸ ITGB1 P05556 1/20 0.40
▸ ITGA4 P13612 1/20 0.40
▸ ITGB7 P26010 1/20 0.40
▸ NPBWR1 P48145 1/20 0.39
▸ MCHR1 Q99705 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
SCHEMBL16998536 0.82 SMN1; SMN2 (0.53) SMN1; SMN2LMNAHTTATMHPGD
SCHEMBL10366104 0.80 SMN1; SMN2 (0.51) SMN1; SMN2LMNAHTTATMHPGD
SCHEMBL18672266 0.79 SMN1; SMN2 (0.53) SMN1; SMN2LMNAHTTATMHPGD
SCHEMBL1627210 0.78 SMN1; SMN2 (0.50) SMN1; SMN2LMNAHTTATMHPGD
SCHEMBL21720358 0.78 SMN1; SMN2 (0.38) SMN1; SMN2LMNAHTTATMHPGD
SCHEMBL21442599 0.78 SMN1; SMN2 (0.55) SMN1; SMN2LMNAHTTATMHPGD
SCHEMBL8282674 0.77 SMN1; SMN2 (0.73) SMN1; SMN2LMNAHTTATMHPGD
SCHEMBL16895310 0.77 SMN1; SMN2 (0.49) SMN1; SMN2LMNAHTTATMHPGD
SCHEMBL466352 0.77 ALDH1A1 (0.55) SMN1; SMN2ATMHPGDNPSR1RAB9A
SCHEMBL17738012 0.77 SMN1; SMN2 (0.50) SMN1; SMN2LMNAHTTATMHPGD

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-2257315-B1 CONTRAST AGENTS FOR APPLICATIONS INCLUDING PERFUSION IMAGING LANTHEUS MEDICAL IMAGING INC (US) 2019-10-23 — — EP disclosed
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