SCHEMBL9104473

SCHEMBL9104473

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
ITGB2 P05107 4/20 0.36
ICAM1 P05362 4/20 0.36
ITGAL P20701 4/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GPBAR1 Q8TDU6 1/20 0.33
MAPT P10636 3/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
DPP7 Q9UHL4 1/20 0.32
TP53 P04637 2/20 0.31
POLB P06746 1/20 0.31
SDCBP O00560 1/20 0.31
SDC2 P34741 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL9105786 0.92 GPBAR1 (0.33) LMNAITGB2ICAM1ITGALMEN1
SCHEMBL9099926 0.90 HDAC1 (0.32) ITGB2ICAM1ITGALGPBAR1MAPT
SCHEMBL3702422 0.88 GPBAR1 (0.35) ITGB2ICAM1ITGALGPBAR1HDAC1
SCHEMBL9105245 0.88 ALDH1A1 (0.41) LMNAKMT2AMAPTTP53KDM4E
SCHEMBL3701709 0.87 HPGD (0.40) LMNAMEN1KMT2AGPBAR1MAPT
SCHEMBL3701796 0.87 MEN1 (0.35) LMNAMEN1KMT2AMAPTHDAC1
SCHEMBL3699232 0.85 ALDH1A1 (0.38) LMNASMN1; SMN2MEN1KMT2AGPBAR1
SCHEMBL9104212 0.85 ALDH1A1 (0.40) LMNAMEN1KMT2AMAPTPOLB
SCHEMBL9103931 0.84 ITGB2 (0.44) LMNASMN1; SMN2ITGB2ICAM1ITGAL
SCHEMBL9107195 0.83 MEN1 (0.41) SMN1; SMN2MEN1KMT2AMAPTTP53

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