SCHEMBL9105309

SCHEMBL9105309

O=C(CC1C(=O)N(C(Cl)Cc2ccc(Cl)cc2)CC(=O)N1CCc1cccs1)NCc1cccs1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
ALDH1A1 P00352 4/20 0.41
TP53 P04637 1/20 0.41
ADAM17 P78536 1/20 0.39
MC4R P32245 2/20 0.38
HPGD P15428 1/20 0.38
GAA P10253 1/20 0.38
CCR4 P51679 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL3694999 0.94 MAPT (0.49) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL3694901 0.93 MAPT (0.47) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL9103782 0.91 MAPT (0.48) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL9107477 0.91 MAPT (0.49) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3693912 0.91 MAPT (0.47) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL9108290 0.91 MAPT (0.45) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL9107165 0.90 MAPT (0.47) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL3701993 0.89 MAPT (0.47) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL9107195 0.89 MEN1 (0.41) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL9104342 0.89 MAPT (0.41) MAPTMEN1KMT2APOLBSMN1; SMN2

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