SCHEMBL20870697

SCHEMBL20870697

Oc1cc(-c2ccccc2)nc(-c2cccc(-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.53
KMT2A Q03164 8/20 0.53
NTSR1 P30989 1/20 0.53
ALDH1A1 P00352 5/20 0.50
HPGD P15428 4/20 0.50
MAPT P10636 3/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.50
ADORA2A P29274 2/20 0.46
ADORA1 P30542 2/20 0.46
KMO O15229 1/20 0.43
GLA P06280 1/20 0.42
GP6 Q9HCN6 1/20 0.42
RAB9A P51151 1/20 0.42
CTRC Q99895 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL18717806 0.87 MEN1 (0.63) MEN1KMT2ANTSR1ALDH1A1HPGD
SCHEMBL17721033 0.87 MEN1 (0.63) MEN1KMT2ANTSR1ALDH1A1HPGD
SCHEMBL17720997 0.87 MEN1 (0.63) MEN1KMT2ANTSR1ALDH1A1HPGD
SCHEMBL18134337 0.87 MEN1 (0.63) MEN1KMT2ANTSR1ALDH1A1HPGD
SCHEMBL3307656 0.87 MEN1 (0.68) MEN1KMT2ANTSR1ALDH1A1HPGD
SCHEMBL17721016 0.85 MEN1 (0.67) MEN1KMT2ANTSR1ALDH1A1HPGD
SCHEMBL17721034 0.85 MEN1 (0.61) MEN1KMT2ANTSR1ALDH1A1HPGD
SCHEMBL18134334 0.85 MEN1 (0.61) MEN1KMT2ANTSR1ALDH1A1HPGD
SCHEMBL17721031 0.85 MEN1 (0.66) MEN1KMT2ANTSR1ALDH1A1HPGD
SCHEMBL18698109 0.85 MEN1 (0.66) MEN1KMT2ANTSR1ALDH1A1HPGD

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-2019066340-A1 ORGANIC COMPOUND, COMPOSITION, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE 삼성에스디아이 주식회사 2019-04-04 WO disclosed