Sugi Predict

Sugi Predict / Compounds / SCHEMBL16613675

SCHEMBL16613675

SCHEMBL16613675

CC1(C)C=Cc2c(-c3cccc(-c4ccccc4)c3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc21

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ NPY5R Q15761 1/20 0.32
▸ TSPO P30536 1/20 0.32
▸ MAPK1 P28482 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ AVPR1A P37288 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
SCHEMBL16613760 0.96 PTGER4 (0.35) PTGER4KDM4EATML3MBTL1NPY5R
SCHEMBL16613809 0.96 KDM4E (0.36) PTGER4KDM4EATML3MBTL1NPY5R
SCHEMBL16613745 0.95 KDM4E (0.37) PTGER4KDM4EATML3MBTL1NPY5R
SCHEMBL16613432 0.92 TP53 (0.30) —
SCHEMBL16613799 0.90 PTGER4 (0.36) PTGER4KDM4EATML3MBTL1NPY5R
SCHEMBL16613616 0.90 PTGER4 (0.34) PTGER4KDM4EATML3MBTL1NPY5R
SCHEMBL16613759 0.89 PTGER4 (0.33) PTGER4KDM4EATML3MBTL1NPY5R
SCHEMBL16613676 0.89 PTGER4 (0.34) PTGER4KDM4EATML3MBTL1
SCHEMBL16613747 0.87 PTGER4 (0.33) PTGER4KDM4EATML3MBTL1
SCHEMBL16613334 0.87 — —

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-2015047058-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-04-02 — — WO disclosed