SCHEMBL21100431

SCHEMBL21100431

c1ccc2c(c1)c1cnccc1n2-c1nc(-n2c3ccccc3c3cnccc32)nc(-n2c3ccccc3c3cnccc32)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 4/20 0.56
▸ MAOB P27338 4/20 0.56
▸ ACHE P22303 3/20 0.56
▸ CYP2D6 P10635 1/20 0.48
▸ DDB1 Q16531 1/20 0.43
▸ CRBN Q96SW2 1/20 0.43
▸ TOP2A P11388 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RAD52 P43351 1/20 0.40
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2A Q12879 1/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ MKNK1 Q9BUB5 1/20 0.37

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
SCHEMBL16625758 0.90 MAOA (0.42) MAOAMAOBACHECYP2D6TOP2A
SCHEMBL29389255 0.84 KDM4E (0.54) KDM4EATML3MBTL1SLC6A2POLB
SCHEMBL1303181 0.84 KDM4E (0.54) KDM4EATML3MBTL1SLC6A2POLB
SCHEMBL12014893 0.83 MAOA (0.44) MAOAMAOBACHECYP2D6DDB1
SCHEMBL24347615 0.83 MAOA (0.42) MAOAMAOBACHECYP2D6DDB1
SCHEMBL21351391 0.82 MAOA (0.47) MAOAMAOBACHECYP2D6DDB1
SCHEMBL20348110 0.82 MAOA (0.53) MAOAMAOBACHECYP2D6DDB1
SCHEMBL16625788 0.82 MAOA (0.39) MAOAMAOBACHECYP2D6DDB1
SCHEMBL16923115 0.81 TOP2A (0.39) MAOAMAOBACHECYP2D6TOP2A
SCHEMBL16356751 0.81 MAOA (0.56) MAOAMAOBACHECYP2D6DDB1

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-20210008872-A1 COMPOSITION FOR ELECTRONIC DEVICES, INK FOR ELECTRONIC DEVICES, AND METHOD FOR PRODUCING ELECTRONIC DEVICE Konica Minolta, Inc. (JP) 2021-01-14 — — US disclosed
US-20190189932-A1 TRANSPARENT ELECTRODE AND ELECTRONIC DEVICE Konica Minolta, Inc. (JP) 2019-06-20 — — US disclosed
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