SCHEMBL12448577

SCHEMBL12448577

CCNc1ccc(NC(=O)COC)cc1N=C1S/C(=C2\Sc3ccc(OCCN(C)C)cc3N2C)C(=O)N1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.42
LMNA P02545 6/20 0.42
TP53 P04637 6/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ESR2 Q92731 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RXFP1 Q9HBX9 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 1/20 0.40
FAAH O00519 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
SCHEMBL2335532 1.00 MAPT (0.42) MAPTLMNATP53KMT2AMEN1
SCHEMBL2335527 1.00 MAPT (0.42) MAPTLMNATP53KMT2AMEN1
SCHEMBL2333612 0.94 MAPT (0.41) MAPTLMNATP53KMT2AMEN1
SCHEMBL2333615 0.94 MAPT (0.41) MAPTLMNATP53KMT2AMEN1
SCHEMBL2337190 0.94 MAPT (0.44) MAPTLMNATP53KMT2AMEN1
SCHEMBL2337186 0.94 MAPT (0.44) MAPTLMNATP53KMT2AMEN1
SCHEMBL2334181 0.93 MAPT (0.43) MAPTLMNATP53KMT2AMEN1
SCHEMBL2334184 0.93 MAPT (0.43) MAPTLMNATP53KMT2AMEN1
SCHEMBL2336586 0.91 MAPT (0.42) MAPTLMNATP53KMT2AMEN1
SCHEMBL12448370 0.91 MAPT (0.42) MAPTLMNATP53KMT2AMEN1

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