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Sugi Predict / Compounds / SCHEMBL18805396

SCHEMBL18805396

SCHEMBL18805396

c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4nc5n(c4c3)c3nc4ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc4n3c3nc4ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc4n53)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.38
▸ KDM4E B2RXH2 6/20 0.35
▸ RAB9A P51151 6/20 0.35
▸ ALDH1A1 P00352 6/20 0.35
▸ NPC1 O15118 5/20 0.35
▸ HPGD P15428 5/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ MAPT P10636 4/20 0.35
▸ CYP2C9 P11712 3/20 0.35
▸ CYP2C19 P33261 3/20 0.35
▸ LMNA P02545 3/20 0.35
▸ TP53 P04637 3/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ GAA P10253 2/20 0.35
▸ PKM P14618 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ GFER P55789 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ MEN1 O00255 1/20 0.35

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
SCHEMBL18805379 0.98 BACE1 (0.37) BACE1KDM4ERAB9AALDH1A1NPC1
SCHEMBL18805387 0.92 ALDH1A1 (0.38) KDM4ERAB9AALDH1A1NPC1HPGD
SCHEMBL13852992 0.84 ALDH1A1 (0.35) BACE1KDM4ERAB9AALDH1A1NPC1
SCHEMBL21349576 0.84 ADORA2B (0.36) BACE1KDM4EALDH1A1MAPTHTT
SCHEMBL19697487 0.83 KDM4E (0.30) KDM4ERAB9ANPC1SMN1; SMN2CYP2C9
SCHEMBL21349571 0.83 ADORA2B (0.35) BACE1ADORA2BADORA1
SCHEMBL21349679 0.83 ADORA2B (0.33) BACE1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL22900630 0.83 ADORA2B (0.35) BACE1ADORA2BADORA1
SCHEMBL22900176 0.83 ADORA2B (0.37) BACE1KDM4EALDH1A1MAPTHTT
SCHEMBL21349578 0.81 ADORA2B (0.36) BACE1KDM4ERAB9AALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170358767-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT Konica Minolta, Inc. (JP) 2017-12-14 — — US disclosed
US-20170358767-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT Konica Minolta, Inc. (JP) 2017-12-14 — — US disclosed
US-20170338446-A1 Organic Electroluminescence Element MERCK PATENT GMBH (DE) 2017-11-23 — — US disclosed
US-20170338446-A1 Organic Electroluminescence Element MERCK PATENT GMBH (DE) 2017-11-23 — — US disclosed
US-20170125715-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Konica Minolta, Inc. (JP) 2017-05-04 — — US disclosed
US-20170125715-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Konica Minolta, Inc. (JP) 2017-05-04 — — US disclosed