SCHEMBL19089962

SCHEMBL19089962

c1ccc(-c2ccc(N(c3ccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3-c3ccc4ccccc4c3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.38
▸ KMT2A Q03164 5/20 0.38
▸ THRB P10828 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ NR2E1 Q9Y466 1/20 0.38
▸ RARB P10826 5/20 0.36
▸ RARG P13631 5/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ RARA P10276 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ LMNA P02545 3/20 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
SCHEMBL19089804 0.92 MEN1 (0.36) MEN1KMT2ATHRBRECQLNR2E1
SCHEMBL19089900 0.91 ALDH1A1 (0.40) MEN1KMT2ATHRBRECQLALDH1A1
SCHEMBL19098018 0.89 MEN1 (0.33) MEN1KMT2ATHRBRECQLNR2E1
SCHEMBL22517319 0.89 MEN1 (0.33) MEN1KMT2ATHRBRECQLNR2E1
SCHEMBL19098000 0.89 MEN1 (0.33) MEN1KMT2ATHRBRECQLNR2E1
SCHEMBL19090027 0.88 MEN1 (0.42) MEN1KMT2ATHRBRECQLNR2E1
SCHEMBL23691170 0.88 ALDH1A1 (0.41) MEN1KMT2ATHRBRECQLNR2E1
SCHEMBL21203554 0.88 MEN1 (0.43) MEN1KMT2ATHRBRECQLNR2E1
SCHEMBL21207249 0.87 MEN1 (0.43) MEN1KMT2ATHRBRECQLNR2E1
SCHEMBL22517322 0.87 MEN1 (0.33) MEN1KMT2ATHRBRECQLNR2E1

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-2017116168-A1 ORGANIC ELECTROLUMINESCENT ELEMENT 머티어리얼사이언스 주식회사 2017-07-06 — — WO disclosed
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