SCHEMBL9103782

SCHEMBL9103782

CNC(=O)CC1C(=O)N(C(Cl)Cc2ccc(Cl)cc2)CC(=O)N1CCc1cccs1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.48
TP53 P04637 3/20 0.43
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40
MC4R P32245 3/20 0.38
RECQL P46063 1/20 0.38
ADAM17 P78536 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL9105309 0.91 MAPT (0.47) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL9107165 0.91 MAPT (0.47) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL3694901 0.90 MAPT (0.47) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL3699317 0.90 MAPT (0.44) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL3701993 0.90 MAPT (0.47) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL9108290 0.90 MAPT (0.45) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL3694999 0.89 MAPT (0.49) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL3693912 0.88 MAPT (0.47) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL9107477 0.88 MAPT (0.49) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL3705531 0.85 MAPT (0.41) MAPTTP53MEN1KMT2AALDH1A1

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