SCHEMBL19645003

SCHEMBL19645003

CCOc1ccccc1-c1ccc2ccc3ccc(-c4nc(-c5ccccc5)nc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)n4)nc3c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.40
▸ NTSR1 P30989 4/20 0.39
▸ TP53 P04637 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ENPP1 P22413 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ NR3C1 P04150 1/20 0.34
▸ TTR P02766 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ GUSB P08236 1/20 0.34

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
SCHEMBL19644618 0.84 AR (0.37) GRM5NPC1SMN1; SMN2LMNAL3MBTL1
SCHEMBL19645005 0.83 LMNA (0.41) GRM5SMN1; SMN2LMNAL3MBTL1KDM4E
SCHEMBL19644622 0.80 LMNA (0.38) GRM5SMN1; SMN2LMNAL3MBTL1KDM4E
SCHEMBL19630405 0.79 MAOA (0.40) GRM5NPC1SMN1; SMN2MAOBLMNA
SCHEMBL19644942 0.78 ALDH1A1 (0.38) NTSR1TP53NPC1SMN1; SMN2LMNA
SCHEMBL19645002 0.77 PDE10A (0.38) NTSR1TP53NPC1SMN1; SMN2MAOB
SCHEMBL19644943 0.76 TSPO (0.38) GRM5NPC1SMN1; SMN2MAOBLMNA
SCHEMBL13010236 0.74 L3MBTL1 (0.55) LMNAL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL12455311 0.74 L3MBTL1 (0.55) LMNAL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL30516185 0.74 L3MBTL1 (0.55) LMNAL3MBTL1ALDH1A1KDM4EHPGD

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
US-9831444-B1 Phenanthroline-based compound for organic electroluminescence device UDC IRELAND LIMITED (IE) 2017-11-28 — — US disclosed
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