SCHEMBL18506199

SCHEMBL18506199

C=C(/C=C\C(=C/C)N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)cc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ MAPT P10636 6/20 0.32
▸ ALDH1A1 P00352 4/20 0.32
▸ HPGD P15428 3/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ EPHX1 P07099 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ AGTR1 P30556 1/20 0.31
▸ BCHE P06276 1/20 0.30
▸ GAA P10253 1/20 0.30

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
SCHEMBL22294815 0.97 MAPT (0.35) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL12829856 0.97 MAPT (0.35) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL10065953 0.95 TRPM8 (0.35) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL19707096 0.91 LTB4R2 (0.35) MEN1KMT2AMAPTHPGDLMNA
SCHEMBL23221626 0.89 ALDH1A1 (0.40) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL18801297 0.85 — —
SCHEMBL18533905 0.84 PIN1 (0.35) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL22099639 0.83 — —
SCHEMBL17751427 0.83 — —
SCHEMBL24633200 0.81 LIPG (0.52) —

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-2017025165-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-02-16 — — WO disclosed
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