SCHEMBL21677488

SCHEMBL21677488

c1ccc(-c2nc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6-c6ccccc6-c6ccc7c(c6)C6(c8ccccc8O7)c7ccccc7-c7ccccc76)n5)cc4)cc3)nc(-c3cccc(-c4ccccc4-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)c3)n2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
PDK2 Q15119 2/20 0.32
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
ENPP3 O14638 1/20 0.31
BACE1 P56817 2/20 0.31
ADORA3 P0DMS8 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
ADORA2B P29275 1/20 0.31
NTSR1 P30989 1/20 0.31
CTSD P07339 1/20 0.31
GPR55 Q9Y2T6 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
SCHEMBL24648457 0.99 PDK2 (0.34) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL21651254 0.98 PDK2 (0.34) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL21677530 0.98 MEN1 (0.33) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL23758826 0.97 PDK2 (0.34) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL19298189 0.97 PDK2 (0.35) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL23758815 0.96 PDK2 (0.32) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL22671252 0.95 MEN1 (0.36) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL19298958 0.95 MEN1 (0.36) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL21651258 0.95 MEN1 (0.36) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL19298194 0.95 MEN1 (0.36) MEN1KMT2AMAPTALDH1A1HPGD

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
US-20200035930-A1 ORGANIC LIGHT EMITTING ELEMENT LG CHEM, LTD. (KR) 2020-01-30 US disclosed