SCHEMBL9254824

SCHEMBL9254824

CCN(CC)c1ccc(C2(c3ccc(N(C)C)cc3C)OC(=O)c3cccnc32)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 4/20 0.44
CYP3A4 P08684 3/20 0.44
HPGD P15428 3/20 0.44
HIF1A Q16665 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 8/20 0.39
LMNA P02545 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
POLB P06746 1/20 0.39
ALOX12 P18054 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
RPS6KA2 Q15349 1/20 0.37
CYP2C19 P33261 1/20 0.35
GFER P55789 1/20 0.35
S100B P04271 1/20 0.35
MAPK1 P28482 3/20 0.34
L3MBTL1 Q9Y468 3/20 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
SCHEMBL9185734 0.96 MAPT (0.41) ALDH1A1HSD17B10CYP3A4HPGDHIF1A
SCHEMBL9186491 0.93 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP3A4HPGDHIF1A
SCHEMBL9183024 0.93 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP3A4HPGDHIF1A
SCHEMBL9181702 0.92 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP3A4HPGDHIF1A
SCHEMBL9184105 0.92 CYP3A4 (0.39) ALDH1A1HSD17B10CYP3A4HPGDHIF1A
SCHEMBL9184678 0.92 CYP3A4 (0.39) ALDH1A1HSD17B10CYP3A4HPGDHIF1A
SCHEMBL9181598 0.92 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP3A4HPGDHIF1A
SCHEMBL9183030 0.88 CYP3A4 (0.39) ALDH1A1HSD17B10CYP3A4HPGDHIF1A
SCHEMBL9186497 0.88 ALDH1A1 (0.41) ALDH1A1HSD17B10CYP3A4HPGDHIF1A
SCHEMBL9181618 0.88 ALDH1A1 (0.41) ALDH1A1HSD17B10CYP3A4HPGDHIF1A

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-5401699-A Thermosensitive elements with color developers, fluoran derivatives and azaphthalides KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1995-03-28 US disclosed