SCHEMBL25028129

SCHEMBL25028129

Cc1ccc(N(c2ccc(C)cc2)c2ccc(C3=C4C(=O)N(O)C(c5ccc(N(c6ccccc6)c6ccccc6)cc5)=C4C(=O)N3O)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.40
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CRHBP P24387 1/20 0.36
ATM Q13315 1/20 0.36
CRHR2 Q13324 1/20 0.36
TLR9 Q9NR96 1/20 0.36
POLB P06746 1/20 0.35
RGS4 P49798 1/20 0.34
ALOX5 P09917 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
CYP2C19 P33261 2/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 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
SCHEMBL10050139 0.81 APP (0.42) APPMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL10050140 0.79 KMT2A (0.40) APPMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL10050133 0.78 ALDH1A1 (0.42) APPMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL15681729 0.78 PTGS2 (0.42) APPMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL10050131 0.78 PTGS2 (0.42) APPMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL6449344 0.75 ALDH1A1 (0.50) APPMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL12781330 0.75 ALDH1A1 (0.50) APPMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL12619867 0.75 ALDH1A1 (0.50) APPMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL21919140 0.75 ALDH1A1 (0.50) APPMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL12593268 0.75 ALDH1A1 (0.50) APPMEN1KMT2AALDH1A1L3MBTL1

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-20230050869-A1 THERMOELECTRIC CONVERSION MATERIAL, AND THERMOELECTRIC CONVERSION ELEMENT PREPARED THEREWITH TOYO INK SC HOLDINGS CO., LTD. (JP) 2023-02-16 US disclosed