SCHEMBL12449299

SCHEMBL12449299

CCNc1ccc(NC(=O)COC)cc1N=C1S/C(=C2\Sc3ccc(OCCOC)cc3N2C)C(=O)N1Cc1ccco1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.42
LMNA P02545 8/20 0.42
KMT2A Q03164 6/20 0.42
ALDH1A1 P00352 6/20 0.42
MEN1 O00255 5/20 0.42
TP53 P04637 4/20 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
NPSR1 Q6W5P4 3/20 0.38
RXFP1 Q9HBX9 2/20 0.38
KDM4E B2RXH2 1/20 0.35
GAA P10253 3/20 0.34
HTT P42858 3/20 0.34
PKM P14618 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
SCHEMBL2334636 1.00 MAPT (0.42) MAPTLMNAKMT2AALDH1A1MEN1
SCHEMBL2334639 1.00 MAPT (0.42) MAPTLMNAKMT2AALDH1A1MEN1
SCHEMBL2333514 0.94 MAPT (0.40) MAPTLMNAKMT2AALDH1A1MEN1
SCHEMBL2333517 0.94 MAPT (0.40) MAPTLMNAKMT2AALDH1A1MEN1
SCHEMBL12448388 0.94 MAPT (0.40) MAPTLMNAKMT2AALDH1A1MEN1
SCHEMBL2337190 0.90 MAPT (0.44) MAPTLMNAKMT2AALDH1A1MEN1
SCHEMBL2338546 0.90 KMT2A (0.44) MAPTLMNAKMT2AALDH1A1MEN1
SCHEMBL2338552 0.90 KMT2A (0.44) MAPTLMNAKMT2AALDH1A1MEN1
SCHEMBL2337186 0.90 MAPT (0.44) MAPTLMNAKMT2AALDH1A1MEN1
SCHEMBL2334657 0.90 MAPT (0.38) MAPTLMNAKMT2AALDH1A1MEN1

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