SCHEMBL12448002

SCHEMBL12448002

CCNc1ccc(NC(=O)COC(C)=O)cc1N=C1S/C(=C2\Sc3ccccc3N2C)C(=O)N1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 6/20 0.38
ALDH1A1 P00352 5/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 10/20 0.38
LMNA P02545 7/20 0.38
TP53 P04637 5/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
ESR2 Q92731 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
NOX1 Q9Y5S8 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL2335303 1.00 KMT2A (0.39) KMT2AL3MBTL1MEN1ALDH1A1POLB
SCHEMBL2335856 0.93 MAPT (0.40) KMT2AL3MBTL1MEN1ALDH1A1POLB
SCHEMBL12448373 0.93 MAPT (0.40) KMT2AL3MBTL1MEN1ALDH1A1POLB
SCHEMBL2335858 0.93 MAPT (0.40) KMT2AL3MBTL1MEN1ALDH1A1POLB
SCHEMBL2333130 0.91 KMT2A (0.41) KMT2AL3MBTL1MEN1ALDH1A1POLB
SCHEMBL2333127 0.91 KMT2A (0.41) KMT2AL3MBTL1MEN1ALDH1A1POLB
SCHEMBL2335237 0.91 KMT2A (0.42) KMT2AL3MBTL1MEN1ALDH1A1POLB
SCHEMBL2335242 0.91 KMT2A (0.42) KMT2AL3MBTL1MEN1ALDH1A1POLB
SCHEMBL2332743 0.89 KMT2A (0.39) KMT2AL3MBTL1MEN1ALDH1A1POLB
SCHEMBL2332747 0.89 KMT2A (0.39) KMT2AL3MBTL1MEN1ALDH1A1POLB

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
EP-1465882-B1 HETROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2011-08-24 EP disclosed