SCHEMBL19953862

SCHEMBL19953862

c1ccc(-c2nc3ccccn3c2-c2ccc(-c3ccc(-c4c(-c5ccccc5)nc5ccccn45)cc3)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 2/20 0.66
▸ AKT2 P31751 2/20 0.66
▸ NPC1 O15118 4/20 0.62
▸ RAB9A P51151 4/20 0.62
▸ ADRA1B P35368 1/20 0.53
▸ NTRK1 P04629 1/20 0.53
▸ USP7 Q93009 4/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ MAPT P10636 1/20 0.51
▸ HSP90AA1 P07900 1/20 0.50
▸ HSP90AB1 P08238 1/20 0.50
▸ NR1I3 Q14994 2/20 0.49
▸ NR1I2 O75469 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ PKM P14618 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48

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
SCHEMBL13599904 1.00 AKT1 (0.66) AKT1AKT2NPC1RAB9AADRA1B
SCHEMBL5347018 0.96 NPC1 (0.66) AKT1AKT2NPC1RAB9AADRA1B
SCHEMBL22673557 0.95 AKT1 (0.61) AKT1AKT2NPC1RAB9AADRA1B
SCHEMBL22673697 0.95 AKT1 (0.61) AKT1AKT2NPC1RAB9AADRA1B
SCHEMBL25789175 0.95 AKT1 (0.61) AKT1AKT2NPC1RAB9AADRA1B
SCHEMBL24479218 0.95 AKT1 (0.61) AKT1AKT2NPC1RAB9AADRA1B
SCHEMBL24479413 0.95 AKT1 (0.61) AKT1AKT2NPC1RAB9AADRA1B
SCHEMBL24478955 0.95 AKT1 (0.61) AKT1AKT2NPC1RAB9AADRA1B
SCHEMBL22673441 0.95 AKT1 (0.61) AKT1AKT2NPC1RAB9AADRA1B
SCHEMBL25789166 0.95 AKT1 (0.61) AKT1AKT2NPC1RAB9AADRA1B

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-9917270-B1 Organic electroluminescent device having an exciton quenching layer CYNORA GMBH (DE) 2018-03-13 — — US disclosed
US-9917270-B1 Organic electroluminescent device having an exciton quenching layer CYNORA GMBH (DE) 2018-03-13 — — US disclosed
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