SCHEMBL16613361

SCHEMBL16613361

c1ccc2c(-c3nc(-n4c5ccccc5c5c6ccccc6ccc54)nc4cscc34)cccc2c1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL16613456 0.96
SCHEMBL16613543 0.91 FLT3 (0.32) ALDH1A1KDM4EMAPTHPGD
SCHEMBL16613251 0.91 ALDH1A1 (0.35) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL16613481 0.90 KDM4E (0.34) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL16613455 0.90 NQO2 (0.31) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL16613423 0.89 KDM4E (0.33) KDM4E
SCHEMBL16613483 0.88 ADK (0.32)
SCHEMBL16613360 0.87 ALDH1A1 (0.39) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL24104968 0.87 ALDH1A1 (0.37) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL16613546 0.86

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