SCHEMBL16613451

SCHEMBL16613451

c1ccc(-c2nc(-n3c4ccccc4c4ccc5c(ccn5-c5ccccc5)c43)nc3ccsc23)cc1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 3/20 0.32
MAPT P10636 3/20 0.32
HPGD P15428 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 3/20 0.31
ATM Q13315 1/20 0.30
LMNA P02545 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
SCHEMBL16613605 0.98 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2KDM4EMAPTHPGD
SCHEMBL16613644 0.94 ALDH1A1 (0.30) ALDH1A1SMN1; SMN2
SCHEMBL16613681 0.94
SCHEMBL16613575 0.93 PTGER1 (0.31) ALDH1A1SMN1; SMN2
SCHEMBL16613645 0.93 PDE4A (0.34) ALDH1A1SMN1; SMN2
SCHEMBL16613643 0.91
SCHEMBL16613682 0.90
SCHEMBL16613600 0.90 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2KDM4EL3MBTL1ATM
SCHEMBL16613480 0.89 ALDH1A1 (0.30) ALDH1A1SMN1; SMN2
SCHEMBL16613726 0.88 ADORA1 (0.41)

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