SCHEMBL6718534

SCHEMBL6718534

CCCCCCCCCCCCNC(=O)c1ccc(C[N]Cc2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.73
L3MBTL1 Q9Y468 1/20 0.62
HDAC3 O15379 5/20 0.60
HDAC1 Q13547 2/20 0.57
HDAC2 Q92769 2/20 0.57
MLYCD O95822 1/20 0.57
TMEM97 Q5BJF2 2/20 0.56
SIGMAR1 Q99720 2/20 0.56
DRD2 P14416 1/20 0.56
DRD4 P21917 1/20 0.56
DRD3 P35462 1/20 0.56
CA2 P00918 1/20 0.56
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
HSP90AA1 P07900 1/20 0.53
THRA P10827 1/20 0.53
THRB P10828 1/20 0.53
HDAC4 P56524 1/20 0.52

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
SCHEMBL5044259 0.90 NAAA (0.62) NAAAL3MBTL1HDAC3HDAC1HDAC2
SCHEMBL6718542 0.86 NAAA (0.73) NAAAL3MBTL1HDAC3HDAC1HDAC2
SCHEMBL1002638 0.85 NAAA (1.00) NAAAL3MBTL1HDAC3HDAC1HDAC2
SCHEMBL20216434 0.85 NAAA (1.00) NAAAL3MBTL1HDAC3HDAC1HDAC2
SCHEMBL28927370 0.85 NAAA (1.00) NAAAL3MBTL1HDAC3HDAC1HDAC2
SCHEMBL421014 0.85 NAAA (1.00) NAAAL3MBTL1HDAC3HDAC1HDAC2
SCHEMBL1002305 0.85 NAAA (1.00) NAAAL3MBTL1HDAC3HDAC1HDAC2
SCHEMBL8204741 0.85 NAAA (1.00) NAAAL3MBTL1HDAC3HDAC1HDAC2
SCHEMBL1004555 0.85 NAAA (1.00) NAAAL3MBTL1HDAC3HDAC1HDAC2
SCHEMBL1003239 0.85 NAAA (1.00) NAAAL3MBTL1HDAC3HDAC1HDAC2

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-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP disclosed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO disclosed