SCHEMBL15468619

SCHEMBL15468619

C1=CCCC(c2cccc(-c3cccc(-c4cccc(-c5nc(-c6ccc(-c7cccc(-c8cccc(-c9ccccc9)c8)c7)cc6)cc(-c6cccc(C7C=CC=C(c8ccccc8)C7)c6)n5)c4)c3)c2)=C1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
ALDH1A1 P00352 5/20 0.35
HPGD P15428 5/20 0.35
KDM4E B2RXH2 4/20 0.35
MAPT P10636 3/20 0.35
LMNA P02545 2/20 0.35
GLA P06280 1/20 0.33
NTSR1 P30989 1/20 0.32
TSHR P16473 2/20 0.31
MAPK1 P28482 2/20 0.31
HSD17B10 Q99714 2/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
USP2 O75604 1/20 0.30
HTT P42858 1/20 0.30
ATM Q13315 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
SCHEMBL18561339 0.86 MEN1 (0.46) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL19791169 0.79 HTR2A (0.30)
SCHEMBL23986162 0.79 MEN1 (0.38) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL12811355 0.79 KDM4E (0.30) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL29314000 0.77 MEN1 (0.37) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL24408545 0.77 KMO (0.37) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL15458394 0.77 KDM4E (0.35) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL25632934 0.76
SCHEMBL22075537 0.75 CYP1A1 (0.44) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL20038844 0.75 KDM4E (0.32) MEN1KMT2AALDH1A1HPGDKDM4E

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