SCHEMBL6653644

SCHEMBL6653644

CN1C(=C2SC(=Nc3cccc(CC(N)=O)c3)N(Cc3ccccc3)C2=O)Sc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.51
MEN1 O00255 8/20 0.51
MAPT P10636 4/20 0.51
ALDH1A1 P00352 4/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
ESR2 Q92731 1/20 0.51
HSD17B10 Q99714 1/20 0.51
RXFP1 Q9HBX9 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.39
PTPN1 P18031 4/20 0.38
ACP1 P24666 4/20 0.38

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
SCHEMBL2333389 0.90 KMT2A (0.51) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL12448461 0.90 KMT2A (0.51) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL2340415 0.90 KMT2A (0.51) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL2332761 0.88 KMT2A (0.52) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL2338681 0.88 KMT2A (0.52) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL2333393 0.87 KMT2A (0.51) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL2342317 0.87 KMT2A (0.51) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL12447993 0.87 KMT2A (0.51) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL2340814 0.87 KMT2A (0.57) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL2340817 0.87 KMT2A (0.57) KMT2AMEN1MAPTALDH1A1LMNA

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-2003060078-A9 HETEROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2004-02-19 WO disclosed