Sugi Predict

Sugi Predict / Compounds / SCHEMBL22700718

SCHEMBL22700718

SCHEMBL22700718

C1=CC(c2ccc(-c3cc(-c4ccccc4)nc(-c4cccc5sc6cc(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)ccc6c45)n3)cc2)=CCC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ HPGD P15428 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ NTSR1 P30989 1/20 0.33
▸ GLA P06280 1/20 0.32

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
SCHEMBL22700297 0.94 ADORA2A (0.30) —
SCHEMBL22700698 0.89 MEN1 (0.34) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL20982340 0.87 BRDT (0.32) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22700440 0.87 MEN1 (0.37) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22700203 0.85 MEN1 (0.34) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22329886 0.85 MEN1 (0.47) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22329688 0.85 MEN1 (0.47) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22329290 0.84 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22700617 0.84 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22700626 0.84 MEN1 (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020235976-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 (KR) 2020-11-26 — — WO disclosed