SCHEMBL28635892

SCHEMBL28635892

N=C(N)c1cccc2c1Cc1ccccc1-2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 3/20 0.59
HTR7 P34969 2/20 0.59
PNMT P11086 1/20 0.50
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HSP90AA1 P07900 2/20 0.42
DRD2 P14416 2/20 0.39
ADRA1D P25100 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 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
SCHEMBL4796546 0.82 HTR2B (0.68) HTR2BHTR7PNMTNPC1RAB9A
SCHEMBL5820630 0.81 HTR2B (0.57) HTR2BHTR7PNMTNPC1RAB9A
SCHEMBL5613233 0.81 HTR2B (0.66) HTR2BHTR7PNMTNPC1RAB9A
SCHEMBL7771113 0.79 HTR2B (0.59) HTR2BHTR7PNMTNPC1RAB9A
SCHEMBL10911535 0.78 HTR2B (0.62) HTR2BHTR7PNMTNPC1RAB9A
SCHEMBL17183668 0.77 HTR2B (0.61) HTR2BHTR7PNMTNPC1RAB9A
SCHEMBL31229252 0.76 HSP90AA1 (0.67) HTR2BHTR7PNMTNPC1RAB9A
SCHEMBL67699 0.76 HSP90AA1 (0.67) HTR2BHTR7PNMTNPC1RAB9A
SCHEMBL1567078 0.76 HTR2B (0.60) HTR2BHTR7PNMTNPC1RAB9A
SCHEMBL29638295 0.76 HSP90AA1 (0.67) HTR2BHTR7PNMTNPC1RAB9A

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
CN-113423435-A Treatment of respiratory disorders using arachidonic acid 15-lipoxygenase (ALOX15) inhibitors 雷杰纳荣制药公司 2021-09-21 CN disclosed