SCHEMBL21983009

SCHEMBL21983009

c1cc2c3c(c1)Oc1cc(-c4cc5c6c(c4)Oc4cccc7c4B6c4c(cccc4O5)C7)cc4c1B3c1c(cccc1O4)C2

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GAA P10253 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL24677329 0.87 AHR (0.33) MAOAMAOB
SCHEMBL25634953 0.86 MAOA (0.42) MAOAMAOB
SCHEMBL21983181 0.83 AHR (0.31)
SCHEMBL21302915 0.79 ALDH1A1 (0.36) MAOAMAOB
SCHEMBL21983018 0.79 ALDH1A1 (0.36) MAOAMAOB
SCHEMBL21302871 0.76 MAOA (0.38) MAOAMAOB
SCHEMBL26226323 0.74 MAOA (0.48) MAOAMAOBGAANPSR1
SCHEMBL23841397 0.74 CYP1A1 (0.38) MAOA
SCHEMBL21983246 0.72 ALDH1A1 (0.41) MAOALMNAGAA
SCHEMBL23841396 0.71 DHODH (0.30)

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-10651395-B2 Organic electroluminescent element, display device, and illumination device Konica Minolta, Inc. (JP) 2020-05-12 US disclosed