SCHEMBL12449243

SCHEMBL12449243

CN1/C(=C2/SC(=Nc3cccc(Cl)c3)N(Cc3ccccc3)C2=O)Sc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.52
MEN1 O00255 8/20 0.52
MAPT P10636 4/20 0.52
ALDH1A1 P00352 4/20 0.52
TP53 P04637 2/20 0.52
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
ESR2 Q92731 1/20 0.52
HSD17B10 Q99714 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.49
RXFP1 Q9HBX9 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 2/20 0.47
CA9 Q16790 3/20 0.46
GAA P10253 1/20 0.44
KDM4E B2RXH2 1/20 0.42
NR1H4 Q96RI1 1/20 0.39

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
SCHEMBL2337306 1.00 KMT2A (0.52) KMT2AMEN1MAPTALDH1A1TP53
SCHEMBL2337302 1.00 KMT2A (0.52) KMT2AMEN1MAPTALDH1A1TP53
SCHEMBL2340814 0.91 KMT2A (0.57) KMT2AMEN1MAPTALDH1A1TP53
SCHEMBL2340817 0.91 KMT2A (0.57) KMT2AMEN1MAPTALDH1A1TP53
SCHEMBL12447993 0.90 KMT2A (0.51) KMT2AMEN1MAPTALDH1A1TP53
SCHEMBL2333393 0.90 KMT2A (0.51) KMT2AMEN1MAPTALDH1A1TP53
SCHEMBL2342317 0.90 KMT2A (0.51) KMT2AMEN1MAPTALDH1A1TP53
SCHEMBL2338681 0.88 KMT2A (0.52) KMT2AMEN1MAPTALDH1A1TP53
SCHEMBL2336312 0.88 KMT2A (0.50) KMT2AMEN1MAPTALDH1A1TP53
SCHEMBL2336315 0.88 KMT2A (0.50) KMT2AMEN1MAPTALDH1A1TP53

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