SCHEMBL18643176

SCHEMBL18643176

COc1ccc(Cc2cc(C(=O)NCC/C3=C/CCCNc4ccc(Cl)cc43)no2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
SNCA P37840 2/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HTT P42858 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
CNR1 P21554 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
SCHEMBL18643117 0.87 SNCA (0.41) LMNASNCAKMT2ACNR1
SCHEMBL18643353 0.79 FAAH (0.49) ALDH1A1LMNATP53THRBHTT
SCHEMBL892451 0.73 SNCA (0.74) SNCAKMT2APOLB
SCHEMBL18639761 0.72 ALOX15 (0.41) ALDH1A1LMNAKDM4EHTTKMT2A
SCHEMBL18856076 0.69 SNCA (0.57) LMNASNCAKDM4ENPC1RAB9A
SCHEMBL15932072 0.67 RAB9A (0.58) ALDH1A1NPC1RAB9AKMT2APOLB
SCHEMBL892772 0.65 SNCA (0.74) SNCA
SCHEMBL15931718 0.65 ALDH1A1 (0.58) ALDH1A1LMNATP53KDM4ENPC1
SCHEMBL892102 0.63 SNCA (0.73) SNCA
SCHEMBL15956476 0.63 MRGPRX4 (0.61) ALDH1A1LMNATP53KDM4EHTT

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-2440550-B1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES UNIV LEUVEN KATH (BE) 2017-03-15 EP disclosed