SCHEMBL26420946

SCHEMBL26420946

c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5c(-c6ccccc6)c(-c6ccccc6)c6c7ccccc7n(-c7ccc(-c8ccccc8)cc7)c6c54)n3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
ATM Q13315 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 2/20 0.34
AVPR1A P37288 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPT P10636 1/20 0.33
HDAC4 P56524 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
IL1R1 P14778 1/20 0.33

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
SCHEMBL26420964 1.00 KMT2A (0.38) KMT2AATML3MBTL1KDM4EMEN1
SCHEMBL26420952 0.97 KMT2A (0.41) KMT2AATML3MBTL1KDM4EMEN1
SCHEMBL26420953 0.97 KMT2A (0.41) KMT2AATML3MBTL1KDM4EMEN1
SCHEMBL24549928 0.97 KMT2A (0.41) KMT2AATML3MBTL1KDM4EMEN1
SCHEMBL26420941 0.97 KMT2A (0.41) KMT2AATML3MBTL1KDM4EMEN1
SCHEMBL23118902 0.95 KMT2A (0.43) KMT2AATML3MBTL1KDM4EMEN1
SCHEMBL26421339 0.95 KMT2A (0.43) KMT2AATML3MBTL1KDM4EMEN1
SCHEMBL26420979 0.94 NR3C1 (0.35) KMT2AATML3MBTL1KDM4EMEN1
SCHEMBL26420970 0.94 KMT2A (0.34) KMT2AATML3MBTL1KDM4E
SCHEMBL26420950 0.94 KMT2A (0.34) KMT2AATML3MBTL1KDM4E

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-20230128732-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL AND ORGANIC ELECTROLUMINESCENCE ELEMENT NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2023-04-27 US disclosed
US-20230128732-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL AND ORGANIC ELECTROLUMINESCENCE ELEMENT NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2023-04-27 US disclosed