SCHEMBL15468611

SCHEMBL15468611

C1=CC(c2nc(-c3ccc(-c4cccc(-c5cccc(-c6ccccc6)c5)c4)cc3)nc(-c3ccc(-c4cccc(-c5cccc(-c6ccccc6)c5)c4)cc3)n2)CC=C1c1cccc(-c2ccccc2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HPGD P15428 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
ADORA2A P29274 4/20 0.33
ADORA1 P30542 4/20 0.33
ADORA3 P0DMS8 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NTSR1 P30989 1/20 0.32
GP6 Q9HCN6 1/20 0.31
KMO O15229 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
NPC1 O15118 1/20 0.30
NFKB1 P19838 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 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
SCHEMBL21188133 0.89 MEN1 (0.43) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL25022892 0.88 ESR1 (0.35) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL22842149 0.86 CYP1A2 (0.38) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL19559952 0.85 NPC1 (0.35) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL25801357 0.85 MEN1 (0.32) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL19791293 0.84 GPR55 (0.34) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL22243889 0.84 NR1I3 (0.38) MEN1KMT2AMAPTADORA1ADORA3
SCHEMBL20752532 0.83 KDM4E (0.38) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL22544992 0.83 PDGFRB (0.40) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL19918535 0.83 MEN1 (0.33) MEN1KMT2AHPGDALDH1A1MAPT

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
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