SCHEMBL16613237

SCHEMBL16613237

c1ccc(-c2nc(-n3c4ccccc4c4ccc5c(ccn5-c5ccccc5)c43)nc3cscc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
LMNA P02545 1/20 0.33
ATM Q13315 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
SCHEMBL16613249 0.98 ALDH1A1 (0.34) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16613243 0.94 KDM4E (0.31) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16613238 0.93 KDM4E (0.30) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16613231 0.92
SCHEMBL16613230 0.92 PTGER1 (0.32)
SCHEMBL16613257 0.91
SCHEMBL15596395 0.91 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16613239 0.89
SCHEMBL16613244 0.89 KDM4E (0.32) KDM4EL3MBTL1ATM
SCHEMBL15596399 0.89 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EMAPTNPSR1

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