SCHEMBL22417825

SCHEMBL22417825

N#Cc1c(-c2ccc(-n3c4c(c5ccccc53)CCC=C4)cc2)c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(C#N)c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1-c1ccc(-n2c3ccccc3c3ccccc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PDE9A O76083 1/20 0.33
▸ PDE1C Q14123 1/20 0.33
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ HTR3A P46098 1/20 0.30
▸ ALDH1A1 P00352 2/20 0.30
▸ RXFP1 Q9HBX9 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ PTPN1 P18031 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ HTT P42858 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
SCHEMBL21972991 0.98 KDM4E (0.36) KDM4EATML3MBTL1PDE9APDE1C
SCHEMBL23544430 0.98 KDM4E (0.35) KDM4EATML3MBTL1PDE9APDE1C
SCHEMBL27367607 0.88 KDM4E (0.40) KDM4EATML3MBTL1PTPN1KMT2A
SCHEMBL11942992 0.87 L3MBTL1 (0.42) KDM4EATML3MBTL1ALDH1A1PTPN1
SCHEMBL257569 0.87 KDM4E (0.43) KDM4EATML3MBTL1PTPN1
SCHEMBL14050165 0.85 KDM4E (0.47) KDM4EATML3MBTL1PTPN1
SCHEMBL22385496 0.85 KDM4E (0.32) KDM4EATML3MBTL1
SCHEMBL12153423 0.84 L3MBTL1 (0.38) KDM4EATML3MBTL1ALDH1A1MEN1
SCHEMBL27367382 0.83 KDM4E (0.38) KDM4EATML3MBTL1PTPN1KMT2A
SCHEMBL23268128 0.83 HTR3A (0.34) KDM4EPDE9APDE1CHTR2AHTR2C

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
EP-3706182-A1 ORGANIC ELECTROLUMINESCENT DEVICE Kyushu University National University Corporation (JP) 2020-09-09 — — EP disclosed
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