SCHEMBL16613378

SCHEMBL16613378

c1ccc(-n2cc3nc(-n4c5ccccc5c5c6ccccc6ccc54)nc(-c4ccccc4-c4cccc5ccccc45)c3c2)cc1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL16613314 0.96 CNR1 (0.31)
SCHEMBL16613296 0.92 KDM4E (0.31) ALDH1A1
SCHEMBL16613320 0.92 KDM4E (0.36) ALDH1A1
SCHEMBL16613291 0.90 KDM4E (0.32) ALDH1A1
SCHEMBL16613270 0.90 KDM4E (0.33)
SCHEMBL16613377 0.88 KDM4E (0.31) ALDH1A1
SCHEMBL16613266 0.87 ALDH1A1 (0.38) ALDH1A1
SCHEMBL16613318 0.87 KDM4E (0.37) ALDH1A1
SCHEMBL16613269 0.86
SCHEMBL16613267 0.85 ALDH1A1 (0.36) ALDH1A1

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