SCHEMBL24945291

SCHEMBL24945291

c1ccc(-c2cc3ccccc3cc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4-c4ccccc4-c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.46
ALDH1A1 P00352 5/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PSMB5 P28074 2/20 0.37
GPR84 Q9NQS5 2/20 0.37
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL21203455 0.98 PTGS2 (0.47) PTGS2ALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL21203575 0.95 PTGS2 (0.45) PTGS2ALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL22255609 0.94 PTGS2 (0.50) PTGS2ALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL21203443 0.94 PTGS2 (0.50) PTGS2ALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL21203468 0.92 PTGS2 (0.49) PTGS2ALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL22452118 0.92 PTGS2 (0.49) PTGS2ALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL10033648 0.92 PTGS2 (0.49) PTGS2ALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL21203459 0.90 PTGS2 (0.50) PTGS2ALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL21203572 0.90 PTGS2 (0.50) PTGS2ALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL22255552 0.89 PTGS2 (0.44) PTGS2ALDH1A1L3MBTL1KDM4EMAPT

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
US-20230013038-A1 LIGHT EMITTING DEVICE AND AMINE COMPOUND FOR LIGHT EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-01-19 US disclosed