SCHEMBL20024596

SCHEMBL20024596

Nc1ccccc1NCCNCc1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.55
SIRT2 Q8IXJ6 1/20 0.49
MAOA P21397 2/20 0.49
MAOB P27338 2/20 0.49
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
ALOX15 P16050 2/20 0.45
SCN8A Q9UQD0 1/20 0.45
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP1A2 P05177 2/20 0.44
LMNA P02545 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ATAD2 Q6PL18 1/20 0.42
BACE1 P56817 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 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
SCHEMBL10498883 0.85 MAOA (0.60) CHRM2MAOAMAOBKDM4EALDH1A1
SCHEMBL3993461 0.83 CYP1A2 (0.60) MAOAMAOBKDM4EALDH1A1ALOX15
SCHEMBL348655 0.82 CHRM2 (0.78) CHRM2SIRT2MAOAMAOBKDM4E
SCHEMBL3071526 0.80 CHRM2 (0.81) CHRM2SIRT2MAOAMAOBKDM4E
SCHEMBL284677 0.80 CHRM2 (0.81) CHRM2SIRT2MAOAMAOBKDM4E
Hydrochloric Acid SCHEMBL3626828 0.78 CHRM2 (0.79) CHRM2SIRT2MAOAMAOBKDM4E
Hydrochloric Acid SCHEMBL9702944 0.78 CHRM2 (0.79) CHRM2SIRT2MAOAMAOBKDM4E
SCHEMBL9777412 0.78 CHRM2 (0.79) CHRM2SIRT2MAOAMAOBKDM4E
SCHEMBL20024595 0.76 CHRM2 (0.75) CHRM2SIRT2MAOAMAOBKDM4E
SCHEMBL19214768 0.76 ALDH1A1 (0.40) MAOAMAOBALDH1A1ALOX15L3MBTL1

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
US-20180094086-A1 NEAR INFRARED ABSORBING COMPOSITION, NEAR INFRARED CUT FILTER, METHOD OF MANUFACTURING NEAR INFRARED CUT FILTER, DEVICE, METHOD OF MANUFACTURING COPPER-CONTAINING POLYMER, AND COPPER-CONTAINING POLYMER FUJIFILM CORPORATION (JP) 2018-04-05 US disclosed