SCHEMBL5497076

SCHEMBL5497076

NC(=O)CC[C@H](Nc1ccc(F)cc1F)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
POLB P06746 2/20 0.44
KMT2A Q03164 1/20 0.43
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA2 P00918 3/20 0.41
CA1 P00915 2/20 0.41
MAPT P10636 1/20 0.40
MAPK14 Q16539 1/20 0.40

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
SCHEMBL5497074 0.88 MAPK14 (0.48) RAB9APOLBPKMMAPK14
SCHEMBL5497956 0.81 KMT2A (0.49) KMT2AMMP2MMP9L3MBTL1ALDH1A1
SCHEMBL9294202 0.74 KMT2A (0.51) KMT2AMMP2MMP9L3MBTL1CA2
SCHEMBL20840361 0.74 KMT2A (0.51) KMT2AMMP2MMP9L3MBTL1CA2
SCHEMBL5595918 0.74 KMT2A (0.51) KMT2AMMP2MMP9L3MBTL1CA2
SCHEMBL28975404 0.72 KMT2A (0.47) KMT2AMMP2MMP9L3MBTL1ALDH1A1
SCHEMBL28711052 0.72 KMT2A (0.50) RAB9APOLBKMT2AMMP2MMP9
SCHEMBL2247510 0.72 FOLH1 (0.49) KMT2AMMP2MMP9ALDH1A1HTT
SCHEMBL30047206 0.72 HTT (0.50) RAB9APOLBKMT2APKMALDH1A1
SCHEMBL30046876 0.72 HTT (0.50) RAB9APOLBKMT2APKMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0868535-B9 METHODS AND COMPOSITIONS FOR DETERMINING THE SEQUENCE OF NUCLEIC ACID MOLECULES QIAGEN GENOMICS INC (US) 2007-05-09 EP claimed
EP-0868535-B2 METHODS AND COMPOSITIONS FOR DETERMINING THE SEQUENCE OF NUCLEIC ACID MOLECULES QIAGEN GENOMICS INC (US) 2006-01-04 EP claimed
EP-0868535-B1 METHODS AND COMPOSITIONS FOR DETERMINING THE SEQUENCE OF NUCLEIC ACID MOLECULES RAPIGENE INC (US) 2000-04-12 EP claimed