SCHEMBL22080805

SCHEMBL22080805

c1ccc(-c2ccc(-c3cc(-c4ccc5c(c4)Oc4cc(-c6ccc(-c7ccncc7)cc6)c(-c6ccc(-c7ccncc7)cc6)cc4O5)nc(-c4ccccc4)n3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.44
▸ MEN1 O00255 6/20 0.44
▸ KMT2A Q03164 6/20 0.44
▸ ALDH1A1 P00352 6/20 0.44
▸ HPGD P15428 4/20 0.44
▸ NTSR1 P30989 1/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ADORA2A P29274 3/20 0.43
▸ ADORA1 P30542 3/20 0.43
▸ KDM4E B2RXH2 5/20 0.43
▸ LMNA P02545 3/20 0.43
▸ GLA P06280 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.42
▸ MAPK1 P28482 1/20 0.42

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
SCHEMBL22080733 1.00 MAPT (0.44) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL22080721 0.91 SMN1; SMN2 (0.47) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL22080427 0.91 SMN1; SMN2 (0.47) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL22080786 0.91 SMN1; SMN2 (0.47) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL22080784 0.91 SMN1; SMN2 (0.47) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL22080727 0.91 SMN1; SMN2 (0.47) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL22080701 0.89 SMN1; SMN2 (0.46) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL22080984 0.89 CYP19A1 (0.47) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL22080730 0.87 CYP19A1 (0.48) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL22080433 0.87 SMN1; SMN2 (0.43) MAPTMEN1KMT2AALDH1A1HPGD

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-2020116875-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 두산솔루스 주식회사 2020-06-11 — — WO disclosed
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