SCHEMBL21430896

SCHEMBL21430896

c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)nc(-n3c4ccccc4c4ccccc43)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.46
▸ ATM Q13315 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ RAC2 P15153 1/20 0.37
▸ RAC3 P60763 1/20 0.37
▸ CDC42 P60953 1/20 0.37
▸ RAC1 P63000 1/20 0.37
▸ PTGER4 P35408 2/20 0.37
▸ HDAC4 P56524 1/20 0.36
▸ PTPN1 P18031 2/20 0.34
▸ EDNRB P24530 1/20 0.34
▸ EDNRA P25101 1/20 0.34
▸ NPY5R Q15761 2/20 0.33
▸ RXRA P19793 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TUBB4A P04350 1/20 0.32

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
SCHEMBL24677419 0.97 L3MBTL1 (0.47) KDM4EATML3MBTL1RAC2RAC3
SCHEMBL23052874 0.97 KDM4E (0.46) KDM4EATML3MBTL1RAC2RAC3
SCHEMBL15371707 0.97 KDM4E (0.46) KDM4EATML3MBTL1RAC2RAC3
SCHEMBL24677415 0.97 KDM4E (0.46) KDM4EATML3MBTL1RAC2RAC3
SCHEMBL15371700 0.94 KDM4E (0.43) KDM4EATML3MBTL1RAC2RAC3
SCHEMBL12033729 0.94 KDM4E (0.43) KDM4EATML3MBTL1RAC2RAC3
SCHEMBL15606637 0.94 KDM4E (0.43) KDM4EATML3MBTL1RAC2RAC3
SCHEMBL16152684 0.94 KDM4E (0.43) KDM4EATML3MBTL1RAC2RAC3
SCHEMBL12033582 0.94 L3MBTL1 (0.46) KDM4EATML3MBTL1RAC2RAC3
SCHEMBL20711102 0.94 L3MBTL1 (0.46) KDM4EATML3MBTL1RAC2RAC3

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
WO-2019191454-A1 COMPOSITION OF MATTER FOR USE ORGANIC LIGHT-EMITTING DIODES KYULUX, INC. (JP) 2019-10-03 — — WO disclosed
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