SCHEMBL16581122

SCHEMBL16581122

c1ccc(-c2cc(-c3cccc(-c4nc(-c5ccccc5)c5sc6ccccc6c5n4)c3)cc(-c3cccc(-c4cc5ccccc5c5ccccc45)c3)n2)cc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ MAPK1 P28482 1/20 0.30
▸ RECQL P46063 1/20 0.30
▸ MMP14 P50281 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ ALOX5 P09917 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
SCHEMBL16902029 0.93 CYP11B1 (0.37) MEN1LMNAMAPTKMT2AKDM4E
SCHEMBL16581322 0.92 CYP11B1 (0.34) CYP11B1
SCHEMBL18158344 0.91 MEN1 (0.38) MEN1LMNAMAPTKMT2AKDM4E
SCHEMBL18158357 0.91 MEN1 (0.38) MEN1LMNAMAPTKMT2AKDM4E
SCHEMBL18158342 0.91 MEN1 (0.38) MEN1LMNAMAPTKMT2AKDM4E
SCHEMBL18370272 0.90 CYP11B1 (0.36) MEN1LMNAMAPTKMT2ACYP11B1
SCHEMBL18158356 0.90 MEN1 (0.39) MEN1LMNAMAPTKMT2AKDM4E
SCHEMBL19106383 0.89 CYP11B1 (0.36) MEN1LMNAMAPTKMT2AKDM4E
SCHEMBL19106367 0.89 CYP11B1 (0.36) MEN1LMNAMAPTKMT2AKDM4E
SCHEMBL16581202 0.88 LIMK1 (0.37) MEN1LMNAMAPTKMT2AKDM4E

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-2015037675-A1 BENZOTHIENOPYRIMIDINE COMPOUND, METHOD FOR PRODUCING SAME AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING SAME 東ソー株式会社 (JP) 2015-03-19 — — WO disclosed
Send feedback