SCHEMBL3640469

SCHEMBL3640469

O=C(Nc1ccc(F)cc1)ON=C1CCN(C(=O)O)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
GAA P10253 3/20 0.55
ALDH1A1 P00352 6/20 0.52
NPC1 O15118 5/20 0.52
MAPT P10636 4/20 0.44
KMT2A Q03164 2/20 0.43
KCNA5 P22460 1/20 0.42
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
MEN1 O00255 1/20 0.40
KDM4E B2RXH2 1/20 0.39
THRB P10828 1/20 0.39
FAAH O00519 1/20 0.39
GLA P06280 1/20 0.39
LMNA P02545 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
SCHEMBL2288939 0.83 RAB9A (0.49) RAB9ASMN1; SMN2GAAALDH1A1NPC1
SCHEMBL2292999 0.80 RAB9A (0.56) RAB9ASMN1; SMN2GAAALDH1A1NPC1
SCHEMBL2291227 0.77 HPGDS (0.53) SMN1; SMN2ALDH1A1KMT2AHPGDMEN1
SCHEMBL2294293 0.77 GRIN2B (0.50) RAB9ASMN1; SMN2GAAALDH1A1MAPT
SCHEMBL2294464 0.76 TRPV1 (0.44) RAB9ASMN1; SMN2GAAALDH1A1NPC1
SCHEMBL2294335 0.76 RAB9A (0.58) RAB9ASMN1; SMN2GAAALDH1A1MAPT
SCHEMBL2292429 0.73 MEN1 (0.50) RAB9ASMN1; SMN2GAAALDH1A1NPC1
SCHEMBL22218903 0.72 KMT2A (0.73) RAB9ASMN1; SMN2GAAALDH1A1NPC1
SCHEMBL2292379 0.71 TSHR (0.50) SMN1; SMN2GAAALDH1A1MAPTKMT2A
SCHEMBL2293229 0.71 SCN9A (0.49) SMN1; SMN2GAAALDH1A1KMT2AALOX15

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-2164326-A1 AMIDE COMPOUNDS AND THE USE THEREOF Euro-Celtique, S.A. (LU) 2010-03-24 EP disclosed
WO-2008150447-A1 AMIDE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2008-12-11 WO disclosed