SCHEMBL21556950

SCHEMBL21556950

CCCCOc1ccc(C2CNC(=N)N2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.49
MAOB P27338 4/20 0.49
LMNA P02545 1/20 0.49
NPC1 O15118 1/20 0.47
CRBN Q96SW2 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 3/20 0.41
PABPC1 P11940 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP19A1 P11511 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
LTA4H P09960 2/20 0.40
RAB9A P51151 1/20 0.39
NR5A1 Q13285 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
SCHEMBL19361310 0.94 ALDH1A1 (0.51) MAOAMAOBLMNANPC1CRBN
SCHEMBL19361311 0.88 MAOA (0.47) MAOAMAOBNPC1ALDH1A1MAPT
SCHEMBL16216281 0.85 APP (0.36) MAOAMAOBLMNAALDH1A1MAPT
SCHEMBL20852480 0.85 MAPT (0.35) MAOAMAOBLMNANPC1CRBN
SCHEMBL10305087 0.85 APP (0.36) MAOAMAOBLMNAALDH1A1MAPT
Hydrochloric Acid SCHEMBL3118484 0.84 KCNH2 (0.36) MAOAMAOBLMNAALDH1A1MAPT
SCHEMBL29410461 0.78 ALDH1A1 (0.61) MAOAMAOBLMNANPC1CRBN
SCHEMBL14395035 0.75 NPC1 (0.64) MAOAMAOBLMNANPC1CRBN
SCHEMBL19361357 0.72 PDE4A (0.41) MAOAMAOBLMNANPC1ALDH1A1
SCHEMBL18746539 0.70 NPC1 (0.47) MAOAMAOBLMNANPC1CRBN

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-3567029-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS Lantheus Medical Imaging, Inc. (US) 2019-11-13 EP disclosed