SCHEMBL26728952

SCHEMBL26728952

c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(C4(c5nc(-c6ccccc6)nc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)n5)c5ccccc5-c5ccccc54)n3)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MEN1 O00255 6/20 0.38
▸ KMT2A Q03164 6/20 0.38
▸ MAPT P10636 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ ADORA2A P29274 3/20 0.37
▸ ADORA1 P30542 3/20 0.37
▸ ADORA3 P0DMS8 2/20 0.37
▸ ADORA2B P29275 2/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ LMNA P02545 5/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ PDK2 Q15119 1/20 0.36
▸ POLB P06746 2/20 0.35
▸ NTSR1 P30989 1/20 0.34
▸ GPR55 Q9Y2T6 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
SCHEMBL26728814 0.92 GP6 (0.38) L3MBTL1MEN1KMT2AMAPTALDH1A1
SCHEMBL26728812 0.92 L3MBTL1 (0.42) L3MBTL1MEN1KMT2AMAPTALDH1A1
SCHEMBL26728954 0.92 L3MBTL1 (0.42) L3MBTL1MEN1KMT2AMAPTALDH1A1
SCHEMBL1168392 0.92 L3MBTL1 (0.45) L3MBTL1MEN1KMT2AMAPTALDH1A1
SCHEMBL26728816 0.85 TSHR (0.41) L3MBTL1MEN1KMT2AMAPTALDH1A1
SCHEMBL12166295 0.85 MEN1 (0.44) L3MBTL1MEN1KMT2AMAPTALDH1A1
SCHEMBL26728953 0.85 PDK2 (0.41) L3MBTL1MEN1KMT2AMAPTALDH1A1
SCHEMBL18878314 0.84 PDK2 (0.47) L3MBTL1MEN1KMT2AMAPTALDH1A1
SCHEMBL21709305 0.84 PDK2 (0.47) L3MBTL1MEN1KMT2AMAPTALDH1A1
SCHEMBL18878326 0.84 PDK2 (0.47) L3MBTL1MEN1KMT2AMAPTALDH1A1

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-2023208899-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-11-02 — — WO disclosed
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