SCHEMBL21187803

SCHEMBL21187803

c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CRHBP P24387 1/20 0.39
ATM Q13315 1/20 0.39
CRHR2 Q13324 1/20 0.39
TLR9 Q9NR96 1/20 0.39
APP P05067 1/20 0.38
BACE1 P56817 1/20 0.34
ALOX5 P09917 1/20 0.34
ABL1 P00519 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
SCHEMBL308746 0.98 L3MBTL1 (0.45) ALDH1A1L3MBTL1TDP1KDM4ECYP1A2
SCHEMBL19433433 0.98 L3MBTL1 (0.45) ALDH1A1L3MBTL1TDP1KDM4ECYP1A2
SCHEMBL20620705 0.96 L3MBTL1 (0.43) ALDH1A1L3MBTL1TDP1KDM4ECYP1A2
SCHEMBL20620409 0.96 L3MBTL1 (0.43) ALDH1A1L3MBTL1TDP1KDM4ECYP1A2
SCHEMBL20558789 0.96 L3MBTL1 (0.43) ALDH1A1L3MBTL1TDP1KDM4ECYP1A2
SCHEMBL24079326 0.96 L3MBTL1 (0.43) ALDH1A1L3MBTL1TDP1KDM4ECYP1A2
SCHEMBL20620655 0.96 L3MBTL1 (0.43) ALDH1A1L3MBTL1TDP1KDM4ECYP1A2
SCHEMBL20484377 0.96 L3MBTL1 (0.43) ALDH1A1L3MBTL1TDP1KDM4ECYP1A2
SCHEMBL20582563 0.96 L3MBTL1 (0.43) ALDH1A1L3MBTL1TDP1KDM4ECYP1A2
SCHEMBL20620649 0.96 L3MBTL1 (0.43) ALDH1A1L3MBTL1TDP1KDM4ECYP1A2

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-2019143151-A1 ORGANIC LIGHT-EMITTING DIODE 주식회사 엘지화학 2019-07-25 WO disclosed