SCHEMBL21442499

SCHEMBL21442499

Cc1ccc(COc2cnn(C(C)(C)C)c(=O)c2Cl)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 8/20 0.53
▸ LMNA P02545 2/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.47
▸ HPGD P15428 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ ATM Q13315 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ GALR3 O60755 1/20 0.42
▸ NR2F2 P24468 1/20 0.42
▸ GPR183 P32249 1/20 0.42
▸ GPR35 Q9HC97 1/20 0.42
▸ NPBWR1 P48145 2/20 0.38
▸ MCHR1 Q99705 2/20 0.38
▸ TSHR P16473 4/20 0.38
▸ CYP3A4 P08684 3/20 0.38
▸ CYP2C9 P11712 3/20 0.38

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
SCHEMBL13694257 0.85 SMN1; SMN2 (0.55) SMN1; SMN2LMNANPSR1HPGDHTT
SCHEMBL15596801 0.85 SMN1; SMN2 (0.45) SMN1; SMN2LMNANPSR1HPGDHTT
SCHEMBL15566236 0.85 SMN1; SMN2 (0.45) SMN1; SMN2LMNANPSR1HPGDHTT
SCHEMBL15596703 0.82 SMN1; SMN2 (0.43) SMN1; SMN2LMNANPSR1HPGDHTT
SCHEMBL16901922 0.82 SMN1; SMN2 (0.52) SMN1; SMN2LMNANPSR1HPGDHTT
SCHEMBL18672266 0.82 SMN1; SMN2 (0.53) SMN1; SMN2LMNANPSR1HPGDHTT
SCHEMBL21442599 0.81 SMN1; SMN2 (0.55) SMN1; SMN2LMNANPSR1HPGDHTT
SCHEMBL16901882 0.81 SMN1; SMN2 (0.42) SMN1; SMN2LMNANPSR1HPGDHTT
SCHEMBL15565441 0.80 SMN1; SMN2 (0.41) SMN1; SMN2LMNANPSR1HPGDHTT
SCHEMBL9233810 0.79 SMN1; SMN2 (0.54) SMN1; SMN2LMNANPSR1HPGDHTT

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
EP-3653621-A1 APPARATUS FOR SYNTHESIZING THE IMAGING AGENT 4-CHLORO-2-(1,1-DIMETHYLETHYL)-5-[[4-[[2-(FLUORO-[18F])ETHOXY]METHYL]PHENYL]METHOXY]-3(2H)-PYRIDAZINONE (FLUORPIRIDAZ [18F]) Lantheus Medical Imaging, Inc. (US) 2020-05-20 — — EP disclosed
EP-2882719-B1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AS IMAGING AGENTS FOR DETECTING MYOCARDIAL PERFUSION LANTHEUS MEDICAL IMAGING INC (US) 2019-10-09 — — EP disclosed
Send feedback