SCHEMBL5497956

SCHEMBL5497956

NC(=O)CC[C@H](Nc1ccc(F)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
FOLH1 Q04609 7/20 0.47
CA2 P00918 4/20 0.46
CA1 P00915 3/20 0.46
MMP2 P08253 3/20 0.45
MMP9 P14780 2/20 0.45
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
CA12 O43570 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
SCHEMBL5497952 0.87 FOLH1 (0.59) FOLH1
SCHEMBL11651627 0.86 KMT2A (0.50) KMT2AFOLH1CA2CA1MMP2
SCHEMBL11651630 0.86 KMT2A (0.50) KMT2AFOLH1CA2CA1MMP2
SCHEMBL7711811 0.86 KMT2A (0.50) KMT2ACA2CA1MMP2MMP9
SCHEMBL3448329 0.85 KMT2A (0.64) KMT2AFOLH1CA2CA1MMP2
SCHEMBL3448327 0.85 KMT2A (0.64) KMT2AFOLH1CA2CA1MMP2
SCHEMBL28975404 0.85 KMT2A (0.47) KMT2AFOLH1CA2CA1MMP2
SCHEMBL28103437 0.84 KMT2A (0.49) KMT2AFOLH1CA2CA1MMP2
Hydrochloric Acid SCHEMBL23834278 0.84 KMT2A (0.62) KMT2AFOLH1CA2CA1MMP2
SCHEMBL11037422 0.82 KMT2A (0.47) KMT2AFOLH1CA2CA1MMP2

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