SCHEMBL21709235

SCHEMBL21709235

c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.61
KDM4E B2RXH2 1/20 0.61
ATM Q13315 1/20 0.61
HDAC4 P56524 1/20 0.47
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
KMT2A Q03164 3/20 0.41
IL1R1 P14778 1/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
AVPR1A P37288 1/20 0.40
MAOB P27338 1/20 0.39
HSP90AA1 P07900 1/20 0.39
PTPN1 P18031 2/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
TSPO P30536 1/20 0.38
DNM1 Q05193 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
SCHEMBL364704 1.00 L3MBTL1 (0.61) L3MBTL1KDM4EATMHDAC4RXRA
SCHEMBL19723392 1.00 L3MBTL1 (0.61) L3MBTL1KDM4EATMHDAC4RXRA
SCHEMBL16901212 1.00 L3MBTL1 (0.61) L3MBTL1KDM4EATMHDAC4RXRA
SCHEMBL21152046 1.00 L3MBTL1 (0.61) L3MBTL1KDM4EATMHDAC4RXRA
SCHEMBL21578499 0.98 L3MBTL1 (0.64) L3MBTL1KDM4EATMHDAC4RXRA
SCHEMBL15850636 0.98 L3MBTL1 (0.64) L3MBTL1KDM4EATMHDAC4RXRA
SCHEMBL24398308 0.96 L3MBTL1 (0.57) L3MBTL1KDM4EATMHDAC4RXRA
SCHEMBL13589069 0.96 L3MBTL1 (0.57) L3MBTL1KDM4EATMHDAC4RXRA
SCHEMBL23008263 0.96 L3MBTL1 (0.57) L3MBTL1KDM4EATMHDAC4RXRA
SCHEMBL21128732 0.96 L3MBTL1 (0.57) L3MBTL1KDM4EATMHDAC4RXRA

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
WO-2020032447-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING, AS HOST MATERIAL, MIXTURE OF DIFFERENT KINDS OF COMPOUNDS, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2020-02-13 WO disclosed
WO-2020032424-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING, AS HOST MATERIAL, MIXTURE OF DIFFERENT KINDS OF COMPOUNDS, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2020-02-13 WO disclosed