SCHEMBL19917029

SCHEMBL19917029

c1ccc(-c2ccc(-c3cc(-c4cccc(-c5ccc6c(c5)Oc5c(c7ccccc7c7ccccc57)O6)c4)nc(-c4ccccc4)n3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.47
▸ KMT2A Q03164 8/20 0.47
▸ MAPT P10636 6/20 0.47
▸ ALDH1A1 P00352 5/20 0.47
▸ HPGD P15428 5/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ LMNA P02545 2/20 0.47
▸ GLA P06280 1/20 0.47
▸ NTSR1 P30989 1/20 0.45
▸ ADORA2A P29274 6/20 0.44
▸ ADORA1 P30542 6/20 0.44
▸ ADORA3 P0DMS8 4/20 0.43
▸ NPC1 O15118 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAOB P27338 3/20 0.39
▸ MAOA P21397 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL19917006 1.00 MEN1 (0.47) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL19917059 0.89 MEN1 (0.42) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL19916926 0.89 MEN1 (0.42) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL19916868 0.89 CYP1A2 (0.41) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL19916918 0.89 CYP1A2 (0.41) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL19916968 0.89 CYP1A2 (0.41) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL16863582 0.87 MEN1 (0.53) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL22309563 0.85 MEN1 (0.54) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL22308606 0.85 MEN1 (0.54) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL22113770 0.83 MEN1 (0.51) MEN1KMT2AMAPTALDH1A1HPGD

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-2018038464-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2018-03-01 — — WO disclosed
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