SCHEMBL20071440

SCHEMBL20071440

Brc1cccc2c1ccc1c2c2cccc3c4ccccc4n1c32

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
ALKBH5 Q6P6C2 1/20 0.34
FTO Q9C0B1 1/20 0.34
TYMS P04818 1/20 0.33
PNMT P11086 1/20 0.33
PRNP P04156 1/20 0.31
CYP1A2 P05177 1/20 0.31
PARP1 P09874 1/20 0.31
GPR3 P46089 1/20 0.31
CYP1B1 Q16678 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
SCHEMBL20857812 0.90 KDM4E (0.44) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL20857975 0.88 KDM4E (0.42) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL31722640 0.86 KDM4E (0.41) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL20857976 0.84 KDM4E (0.42) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL22937151 0.83 TSPO (0.33) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL13936034 0.83 KDM4E (0.44) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL24434226 0.82 KDM4E (0.46) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL20071606 0.81 ALDH1A1 (0.36) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL20071437 0.79 CYP2A6 (0.37) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL20071703 0.78 TSPO (0.36) KDM4EMEN1ALDH1A1POLBMAPT

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