SCHEMBL17740596

SCHEMBL17740596

Brc1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc(N(c2ccccc2)c2cccc(-c3ccccc3)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
MGLL Q99685 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
BIRC5 O15392 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL17878494 0.95 ALDH1A1 (0.39) ALDH1A1MAPK1CRHBPCRHR2SLC6A2
SCHEMBL18090490 0.93 ALDH1A1 (0.40) ALDH1A1MAPK1CRHBPCRHR2MGLL
SCHEMBL17878512 0.93 GABRA1 (0.37) ALDH1A1MAPK1CRHBPCRHR2SLC6A2
SCHEMBL18090368 0.93 ALDH1A1 (0.40) ALDH1A1MAPK1CRHBPCRHR2MGLL
SCHEMBL18859368 0.93 ALDH1A1 (0.43) ALDH1A1MAPK1CRHBPCRHR2SLC6A2
SCHEMBL17878473 0.92 ALDH1A1 (0.41) ALDH1A1MAPK1CRHBPCRHR2SLC6A2
SCHEMBL18090476 0.91 ALDH1A1 (0.43) ALDH1A1MAPK1CRHBPCRHR2MGLL
SCHEMBL18090457 0.91 ALDH1A1 (0.41) ALDH1A1MAPK1CRHBPCRHR2SLC6A2
SCHEMBL18090345 0.91 ALDH1A1 (0.41) ALDH1A1MAPK1CRHBPCRHR2SLC6A2
SCHEMBL17878505 0.90 ALDH1A1 (0.42) ALDH1A1MAPK1CRHBPCRHR2MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020032428-A1 ORGANIC ELECTRIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRIC ELEMENT AND ELECTRONIC DEVICE USING SAME 덕산네오룩스 주식회사 2020-02-13 WO disclosed
WO-2018021737-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2018-02-01 WO disclosed
WO-2018012780-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME ORGANIC ELECTRIC ELEMENT 덕산네오룩스 주식회사 2018-01-18 WO disclosed
WO-2017204556-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME AND ELECTRONIC DEVICE THEREFOR 덕산네오룩스 주식회사 2017-11-30 WO disclosed
WO-2016072691-A1 ORGANIC ELECTRONIC DEVICE AND DISPLAY DEVICE USING COMPOSITION FOR ORGANIC ELECTRONIC DEVICE 덕산네오룩스 주식회사 2016-05-12 WO disclosed