SCHEMBL16613464

SCHEMBL16613464

c1ccc(-n2ccc3c(-c4ccccc4-c4cccc5ccccc45)nc(-n4c5ccccc5c5c6ccccc6ccc54)nc32)cc1

nearest known ligand 0.31

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
SCHEMBL16613494 0.96 ALDH1A1 (0.31) ALDH1A1
SCHEMBL16613661 0.92
SCHEMBL16613312 0.92 KDM4E (0.36) ALDH1A1
SCHEMBL16613636 0.90 KDM4E (0.33)
SCHEMBL16613633 0.90
SCHEMBL16613581 0.88 RXFP1 (0.31)
SCHEMBL16613632 0.87 KDM4E (0.33) ALDH1A1
SCHEMBL16613290 0.87 KDM4E (0.37) ALDH1A1
SCHEMBL16613582 0.86 ADK (0.34)
SCHEMBL16613538 0.85 ALDH1A1 (0.32) 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