SCHEMBL1862629

SCHEMBL1862629

CCCCCCCCCCCCNC(=O)c1ccc(C(NC(=O)C(=O)O)C(Cc2ccccc2)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 4/20 0.55
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HDAC6 Q9UBN7 1/20 0.46
HDAC3 O15379 4/20 0.45
MLYCD O95822 1/20 0.45
FOLH1 Q04609 3/20 0.44
DRD2 P14416 2/20 0.44
DRD4 P21917 2/20 0.44
DRD3 P35462 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CA2 P00918 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL1862631 0.78 NAAA (0.53) NAAANPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL1852984 0.76 MLYCD (0.51) NAAASMN1; SMN2L3MBTL1MLYCDFOLH1
SCHEMBL1862628 0.75 NAAA (0.49) NAAANPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL1853396 0.74 MLYCD (0.47) NAAAL3MBTL1MLYCD
SCHEMBL5039845 0.74 NAAA (0.56) NAAANPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL421014 0.74 NAAA (1.00) NAAANPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL8204741 0.74 NAAA (1.00) NAAANPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL1004555 0.74 NAAA (1.00) NAAANPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL1002638 0.74 NAAA (1.00) NAAANPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL1002305 0.74 NAAA (1.00) NAAANPC1RAB9ASMN1; SMN2L3MBTL1

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-1470102-B1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) MERCK SERONO SA (CH) 2011-05-25 EP disclosed