Sugi Predict

Sugi Predict / Compounds / SCHEMBL23085274

SCHEMBL23085274

SCHEMBL23085274

CC1(C)c2ccccc2N(c2ccc(-c3c(-c4ccccc4)c(C#N)c(C#N)c(-c4ccccc4)c3-c3ccc(N4c5ccccc5C(C)(C)c5cc(-c6ccc7c(c6)Oc6ccccc6N7c6ccc(-c7c(-c8ccccc8)c(C#N)c(C#N)c(-c8ccccc8)c7-c7ccc(N8c9ccccc9Oc9ccccc98)cc7)cc6)ccc54)cc3)cc2)c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ AR P10275 1/20 0.31
▸ PGR P06401 1/20 0.30
▸ GRIA4 P48058 1/20 0.30
▸ ADORA1 P30542 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
SCHEMBL17483346 0.86 GRIA4 (0.38) KDM4EALDH1A1MAPTARPGR
SCHEMBL17483344 0.86 GRIA4 (0.38) KDM4EALDH1A1MAPTARPGR
SCHEMBL22310075 0.85 PGR (0.34) NPC1ALDH1A1GAAMAPTPGR
SCHEMBL18932355 0.84 AR (0.37) KDM4ENPC1MAPTARPGR
SCHEMBL17483392 0.84 ALDH1A1 (0.38) KDM4EALDH1A1MAPTARGRIA4
SCHEMBL17483390 0.84 PGR (0.39) KDM4EALDH1A1GAAMAPTAR
SCHEMBL17483305 0.84 ALDH1A1 (0.38) KDM4EALDH1A1MAPTARGRIA4
SCHEMBL21578630 0.83 FAAH (0.35) ALDH1A1PGR
SCHEMBL10331568 0.82 PGR (0.34) ALDH1A1MAPTPGR
SCHEMBL10331567 0.82 PGR (0.35) NPC1ALDH1A1GAAMAPTPGR

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-20210074927-A1 ORGANIC ELECTROLUMINESCENT DEVICE KYULUX, INC. (JP) 2021-03-11 — — US disclosed