SCHEMBL20071606

SCHEMBL20071606

Brc1cccc2ccc3c(c4cccc5c6ccccc6n3c54)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 2/20 0.36
THRB P10828 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CNR2 P34972 4/20 0.36
CNR1 P21554 2/20 0.34
ALKBH5 Q6P6C2 1/20 0.33
FTO Q9C0B1 1/20 0.33
ERBB2 P04626 1/20 0.31
FYN P06241 1/20 0.31
MAOA P21397 1/20 0.31
ACHE P22303 1/20 0.31
AHR P35869 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
SCHEMBL31722640 0.87 KDM4E (0.41) ALDH1A1HPGDKDM4EMEN1POLB
SCHEMBL22109702 0.85 CYP1A2 (0.40) ALDH1A1HPGDKDM4EMEN1POLB
SCHEMBL24434226 0.83 KDM4E (0.46) ALDH1A1HPGDKDM4EMEN1POLB
SCHEMBL21710492 0.82 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EMEN1POLB
SCHEMBL26261220 0.82 KDM4E (0.45) ALDH1A1HPGDKDM4EMEN1POLB
SCHEMBL20071440 0.81 KDM4E (0.38) ALDH1A1HPGDKDM4EMEN1POLB
SCHEMBL20071703 0.79 TSPO (0.36) ALDH1A1HPGDKDM4EMEN1POLB
SCHEMBL20857976 0.79 KDM4E (0.42) ALDH1A1HPGDKDM4EMEN1POLB
SCHEMBL13935943 0.78 KDM4E (0.45) ALDH1A1HPGDKDM4EMEN1POLB
SCHEMBL21870160 0.77 KDM4E (0.41) ALDH1A1HPGDKDM4EMEN1POLB

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-2018070836-A1 COMPOUND FOR ORGANIC ELECTRONIC DEVICE, ORGANIC ELECTRONIC DEVICE USING SAME AND ELECTRONIC APPARATUS THEREFOR 덕산네오룩스 주식회사 2018-04-19 WO disclosed