SCHEMBL3434565

SCHEMBL3434565

C=CCN(CC=C)C(=O)Nc1ccc(C)c(NC(=O)N(CC=C)CC=C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.56
NPSR1 Q6W5P4 2/20 0.52
ALDH1A1 P00352 8/20 0.51
LMNA P02545 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 3/20 0.41
GAA P10253 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
PKM P14618 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
ATM Q13315 2/20 0.40
MAPK1 P28482 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
NSD2 O96028 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL4940323 0.88 MAPT (0.58) MAPTNPSR1ALDH1A1LMNASMN1; SMN2
SCHEMBL4939290 0.87 NPSR1 (0.53) MAPTNPSR1ALDH1A1LMNASMN1; SMN2
SCHEMBL10435110 0.82 POLB (0.54) MAPTALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL20718874 0.79 CA12 (0.52) MAPTNPSR1ALDH1A1LMNASMN1; SMN2
SCHEMBL4937220 0.78 KMT2A (0.55) MAPTNPSR1ALDH1A1LMNASMN1; SMN2
SCHEMBL11640066 0.78 MAPT (0.53) MAPTNPSR1ALDH1A1NPC1RAB9A
SCHEMBL4935771 0.77 MAPT (0.55) MAPTNPSR1ALDH1A1LMNASMN1; SMN2
SCHEMBL31179993 0.77 CA12 (0.49) MAPTNPSR1ALDH1A1LMNASMN1; SMN2
SCHEMBL11144238 0.77 CA12 (0.49) MAPTNPSR1ALDH1A1LMNASMN1; SMN2
SCHEMBL138240 0.77 APEX1 (0.57) MAPTALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254126-A1 Organogel for electrical cable insulating layer Nexans (FR) 2010-11-24 EP disclosed
EP-2254127-A1 Organogel for electrical cable insulating layer Nexans (FR) 2010-11-24 EP disclosed