SCHEMBL21281979

SCHEMBL21281979

CCSc1ccc(Br)cc1-c1cc(Cl)ccc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
SLC6A4 P31645 2/20 0.33
SHMT1 P34896 2/20 0.33
DDR1 Q08345 1/20 0.33
SQOR Q9Y6N5 1/20 0.33
HTR7 P34969 1/20 0.33
SLC6A2 P23975 1/20 0.33
HSD11B1 P28845 2/20 0.33
NR1I2 O75469 1/20 0.33
PTGES O14684 1/20 0.33
SHMT2 P34897 1/20 0.33

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
SCHEMBL22892608 0.84 KMT2A (0.40) KDM4EMAPK1MEN1CYP1A2CYP2C9
SCHEMBL19656462 0.79 PTGES (0.46) KDM4EMEN1KMT2ARXFP1PTGES
SCHEMBL21281980 0.75 PTGDR2 (0.36) KDM4EPTGDR2RXFP1TDP1SHMT1
SCHEMBL30223283 0.74 CYP1A2 (0.52) KDM4EMAPK1PTGDR2CYP1A2KMT2A
SCHEMBL26805880 0.74 ALDH1A1 (0.52) KDM4EMAPK1PTGDR2MEN1CYP1A2
SCHEMBL30523586 0.74 CYP1A2 (0.52) KDM4EMAPK1PTGDR2CYP1A2KMT2A
SCHEMBL25893310 0.71 ALDH1A1 (0.47) KDM4EMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL30523575 0.71 RXFP1 (0.47) KDM4EPTGDR2MEN1CYP1A2KMT2A
SCHEMBL30761815 0.71 RXFP1 (0.47) KDM4EPTGDR2MEN1CYP1A2KMT2A
SCHEMBL3787086 0.70 PTGDR2 (0.42) KDM4EMAPK1PTGDR2MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019190101-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREFOR 덕산네오룩스 주식회사 2019-10-03 WO disclosed
WO-2019160335-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2019-08-22 WO disclosed