SCHEMBL21442599

SCHEMBL21442599

COc1cc(C)ccc1COc1cnn(C(C)(C)C)c(=O)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 9/20 0.55
▸ LMNA P02545 2/20 0.55
▸ ALDH1A1 P00352 5/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ HPGD P15428 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ ATM Q13315 1/20 0.43
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ KDM4A O75164 1/20 0.41
▸ KDM5A P29375 1/20 0.41
▸ KDM2B Q8NHM5 1/20 0.41
▸ KDM4C Q9H3R0 1/20 0.41
▸ KDM5B Q9UGL1 1/20 0.41

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
SCHEMBL16901898 0.86 SMN1; SMN2 (0.50) SMN1; SMN2LMNAALDH1A1RAB9ANPSR1
SCHEMBL15566101 0.86 SMN1; SMN2 (0.44) SMN1; SMN2LMNAALDH1A1RAB9ANPSR1
SCHEMBL15565446 0.86 RAB9A (0.45) SMN1; SMN2LMNAALDH1A1RAB9ANPSR1
SCHEMBL15596836 0.84 ALDH1A1 (0.46) SMN1; SMN2LMNAALDH1A1RAB9ANPSR1
SCHEMBL16901951 0.83 SMN1; SMN2 (0.41) SMN1; SMN2LMNAALDH1A1RAB9ANPSR1
SCHEMBL22249155 0.83 SMN1; SMN2 (0.44) SMN1; SMN2LMNAALDH1A1RAB9ANPSR1
SCHEMBL15566528 0.82 SMN1; SMN2 (0.41) SMN1; SMN2LMNAALDH1A1RAB9ANPSR1
SCHEMBL21442499 0.81 SMN1; SMN2 (0.53) SMN1; SMN2LMNAALDH1A1RAB9ANPSR1
SCHEMBL13694257 0.81 SMN1; SMN2 (0.55) SMN1; SMN2LMNAALDH1A1RAB9ANPSR1
SCHEMBL15596793 0.78 SMN1; SMN2 (0.49) SMN1; SMN2LMNAALDH1A1RAB9ANPSR1

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
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