SCHEMBL12264201

SCHEMBL12264201

CN1c2ccccc2SC1C1Sc2ccccc2N1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PDGFRB P09619 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KDM1A O60341 1/20 0.36
▸ NOX1 Q9Y5S8 2/20 0.35
▸ GPR3 P46089 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL1412732 0.83 MAOA (0.43) MAOAALDH1A1SMN1; SMN2PDGFRBRAB9A
Iodide SCHEMBL28378810 0.81 MAOA (0.42) MAOAALDH1A1SMN1; SMN2RAB9AKDM1A
SCHEMBL16728889 0.80 MAOA (0.45) MAOAALDH1A1SMN1; SMN2RAB9AKDM1A
SCHEMBL29814962 0.80 MAOA (0.45) MAOAALDH1A1SMN1; SMN2RAB9AKDM1A
SCHEMBL347425 0.80 MAOA (0.45) MAOAALDH1A1SMN1; SMN2RAB9AKDM1A
SCHEMBL12193903 0.79 MAOA (0.41) MAOAALDH1A1SMN1; SMN2RAB9AGSK3B
SCHEMBL30986852 0.79 MAOA (0.41) MAOAALDH1A1SMN1; SMN2RAB9AGSK3B
SCHEMBL1156077 0.78 MAOA (0.43) MAOAALDH1A1SMN1; SMN2RAB9AKDM1A
SCHEMBL32662573 0.78 MAOA (0.43) MAOAALDH1A1SMN1; SMN2KDM1ANOX1
SCHEMBL31571121 0.78 MAOA (0.43) MAOAALDH1A1SMN1; SMN2RAB9AKDM1A

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
US-9671392-B2 Multisensor array for detection of analytes or mixtures thereof in gas or liquid phase DANMARKS TEKNISKE UNIVERSITET (DK) 2017-06-06 — — US disclosed
WO-2011121077-A1 MULTISENSOR ARRAY FOR DETECTION OF ANALYTES OR MIXTURES THEREOF IN GAS OR LIQUID PHASE DANMARKS TEKNISKE UNIVERSITET (DK) 2011-10-06 — — WO disclosed
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