SCHEMBL17755354

SCHEMBL17755354

c1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3cc(-c4ccc(-c5nc6ccccc6[nH]5)cc4)ccc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.55
▸ RAB9A P51151 8/20 0.55
▸ GAA P10253 1/20 0.55
▸ KDR P35968 1/20 0.48
▸ SMN1; SMN2 Q16637 9/20 0.47
▸ HPGD P15428 7/20 0.47
▸ LMNA P02545 1/20 0.47
▸ KDM4E B2RXH2 8/20 0.47
▸ ALDH1A1 P00352 8/20 0.47
▸ PKM P14618 1/20 0.47
▸ HSD17B10 Q99714 4/20 0.47
▸ TP53 P04637 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ GFER P55789 1/20 0.47
▸ PDE10A Q9Y233 1/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ PKN1 Q16512 1/20 0.45
▸ PKN2 Q16513 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL16994454 0.96 NPC1 (0.51) NPC1RAB9AGAAKDRSMN1; SMN2
SCHEMBL30293222 0.96 NPC1 (0.51) NPC1RAB9AGAAKDRSMN1; SMN2
SCHEMBL16000737 0.93 NPC1 (0.53) NPC1RAB9AGAAKDRSMN1; SMN2
SCHEMBL16994455 0.92 RAB9A (0.49) NPC1RAB9AGAAKDRSMN1; SMN2
SCHEMBL24063115 0.88 NPC1 (0.60) NPC1RAB9AGAASMN1; SMN2HPGD
SCHEMBL16002467 0.85 NPC1 (0.51) NPC1RAB9AGAASMN1; SMN2HPGD
SCHEMBL14459921 0.85 NPC1 (0.51) NPC1RAB9AGAASMN1; SMN2HPGD
SCHEMBL16000697 0.84 ESR1 (0.43) NPC1RAB9AGAAKDRSMN1; SMN2
SCHEMBL24500939 0.84 NPC1 (0.66) NPC1RAB9AGAAKDRSMN1; SMN2
SCHEMBL14459924 0.83 NPC1 (0.53) NPC1RAB9AGAASMN1; SMN2HPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9490434-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2016-11-08 — — US disclosed
US-9490434-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2016-11-08 — — US disclosed
US-20160141519-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-05-19 — — US disclosed
US-20160141519-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-05-19 — — US disclosed
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