SCHEMBL9104212

SCHEMBL9104212

C#CCN1C(=O)CN(C(Cl)Cc2ccc(Cl)cc2)C(=O)C1CC(=O)NCCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
EPHX2 P34913 2/20 0.39
LTA4H P09960 1/20 0.39
LMNA P02545 1/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
PLAAT3 P53816 1/20 0.37
PLAAT5 Q96KN8 1/20 0.37
PLAAT2 Q9NWW9 1/20 0.37
PLAAT4 Q9UL19 1/20 0.37

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
SCHEMBL9105245 0.97 ALDH1A1 (0.41) ALDH1A1KMT2AMAPTKDM4EEPHX2
SCHEMBL3701709 0.92 HPGD (0.40) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL9105786 0.88 GPBAR1 (0.33) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL3702498 0.88 HPGD (0.39) ALDH1A1KMT2AMEN1HTTMAPT
SCHEMBL3700736 0.86 BCHE (0.45) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL9102458 0.86 MAPT (0.42) ALDH1A1KMT2AMEN1HTTMAPT
SCHEMBL9104473 0.85 LMNA (0.39) KMT2AMEN1MAPTKDM4EPOLB
SCHEMBL3702422 0.85 GPBAR1 (0.35) ALDH1A1
SCHEMBL3701796 0.85 MEN1 (0.35) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL9099926 0.84 HDAC1 (0.32) MAPT

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-2460798-A2 APAF-1 INHIBITOR COMPOUNDS Laboratorios SALVAT, S.A. (ES) 2012-06-06 EP disclosed