SCHEMBL5319992

SCHEMBL5319992

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
ALOX15 P16050 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
CA2 P00918 5/20 0.41
CA1 P00915 4/20 0.41
FOLH1 Q04609 4/20 0.39
RIMKLA Q8IXN7 1/20 0.39
NAALAD2 Q9Y3Q0 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
TGFBR1 P36897 1/20 0.38
GGH Q92820 1/20 0.34
BMP1 P13497 1/20 0.34

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
SCHEMBL5319987 1.00 KMT2A (0.47) KMT2AALOX15BLMPMP22MMP2
SCHEMBL24165071 0.82 KMT2A (0.48) KMT2AALOX15BLMPMP22MMP2
SCHEMBL5683982 0.82 KMT2A (0.48) KMT2AALOX15BLMPMP22MMP2
SCHEMBL28621911 0.82 KMT2A (0.48) KMT2AALOX15BLMPMP22MMP2
SCHEMBL1226603 0.80 KMT2A (0.47) KMT2AALOX15BLMPMP22MMP2
SCHEMBL1226605 0.80 KMT2A (0.47) KMT2AALOX15BLMPMP22MMP2
Ammonia Solution, Strong SCHEMBL30238984 0.80 KMT2A (0.47) KMT2AALOX15BLMPMP22MMP2
SCHEMBL29478460 0.80 KMT2A (0.47) KMT2AALOX15BLMPMP22MMP2
SCHEMBL28295732 0.80 KMT2A (0.52) KMT2AALOX15BLMPMP22MMP2
SCHEMBL1233078 0.79 KMT2A (0.50) KMT2AALOX15BLMPMP22MMP2

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
WO-2007113385-A1 DIAGNOSTIC AND THERAPEUTIC AGENTS KARYON-CTT LTD (FI) 2007-10-11 WO disclosed