SCHEMBL15468624

SCHEMBL15468624

C1=C(c2ccccc2)C=C(c2cccc(-c3ccc(-c4nc(-c5ccc(-c6cccc(-c7ccccc7)c6)cc5)nc(-c5ccc(-c6cccc(-c7cccc(-c8ccccc8)c7)c6)cc5)n4)cc3)c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
NTSR1 P30989 1/20 0.34
GP6 Q9HCN6 1/20 0.33
KMO O15229 1/20 0.33
NISCH Q9Y2I1 1/20 0.32
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
POLB P06746 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2B P29275 1/20 0.32
HTT P42858 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL20083127 0.96 MEN1 (0.36) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL19791235 0.96 MEN1 (0.36) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL19791242 0.96 MEN1 (0.36) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL23791270 0.88 GP6 (0.37) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL20709473 0.87 L3MBTL1 (0.36) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL25757770 0.85 MEN1 (0.33) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL24279829 0.84 ALDH1A1 (0.34) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL24255599 0.83 MEN1 (0.40) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL25558991 0.83 MEN1 (0.36) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL20629036 0.83 GP6 (0.32) MEN1KMT2AALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2695882-B1 ORGANIC COMPOUND, CHARGE TRANSPORT MATERIAL, COMPOSITION CONTAINING SAID COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE MITSUBISHI CHEM CORP (JP) 2017-03-01 EP disclosed
EP-2695882-A1 ORGANIC COMPOUND, CHARGE TRANSPORT MATERIAL, COMPOSITION CONTAINING SAID COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE Mitsubishi Chemical Corporation (JP) 2014-02-12 EP disclosed