Sugi Predict

Sugi Predict / Compounds / SCHEMBL22700698

SCHEMBL22700698

SCHEMBL22700698

C1=CC(c2nc(-c3ccccc3)nc(-c3cccc4sc5cc(-c6ccccc6-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5c34)n2)=CCC1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ NTSR1 P30989 1/20 0.32
▸ MAOA P21397 1/20 0.30
▸ MAOB P27338 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
SCHEMBL22700718 0.89 MEN1 (0.34) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22700297 0.87 ADORA2A (0.30) —
SCHEMBL22700195 0.87 MEN1 (0.34) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22700461 0.85 MEN1 (0.44) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL20982340 0.83 BRDT (0.32) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22700727 0.83 MEN1 (0.48) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22329886 0.83 MEN1 (0.47) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22329688 0.83 MEN1 (0.47) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22330063 0.82 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22700626 0.82 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