SCHEMBL1921045

SCHEMBL1921045

[CH2]c1cccc(C(=O)NCCC(C)C)c1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
GAA P10253 3/20 0.55
KMT2A Q03164 1/20 0.55
HSD17B10 Q99714 1/20 0.55
LMNA P02545 2/20 0.55
HTT P42858 1/20 0.50
KCNA5 P22460 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NAMPT P43490 1/20 0.47
EPHX2 P34913 1/20 0.46
THRB P10828 1/20 0.46
F3 P13726 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL1196328 0.84 GAA (0.78) SMN1; SMN2GAAKMT2AHSD17B10LMNA
SCHEMBL26212484 0.83 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AGAAKMT2A
SCHEMBL12443609 0.83 NPC1 (0.62) SMN1; SMN2NPC1RAB9AGAAKMT2A
SCHEMBL26733447 0.83 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AGAAKMT2A
SCHEMBL7214340 0.83 L3MBTL1 (0.69) SMN1; SMN2NPC1RAB9AGAAKMT2A
SCHEMBL12443610 0.82 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9AGAAKMT2A
SCHEMBL26716442 0.82 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9AGAAKMT2A
SCHEMBL12760632 0.82 L3MBTL1 (0.72) SMN1; SMN2NPC1RAB9AGAAKMT2A
SCHEMBL18193849 0.82 GAA (0.57) SMN1; SMN2NPC1RAB9AGAAKMT2A
SCHEMBL31055397 0.82 L3MBTL1 (0.72) SMN1; SMN2NPC1RAB9AGAAKMT2A

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-1981854-B1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-06-01 EP claimed