SCHEMBL6048192

SCHEMBL6048192

O=c1ccn(C2CCCO2)c(=O)n1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
ESR1 P03372 1/20 0.44
ALDH1A1 P00352 6/20 0.41
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.41
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CYP2C9 P11712 2/20 0.34
TP53 P04637 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
APEX1 P27695 1/20 0.34
PI4KA P42356 1/20 0.34
BLM P54132 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
SCHEMBL30547691 1.00 KMT2A (0.48) KMT2AMEN1LMNAMAPTESR1
SCHEMBL9838267 0.83 KMT2A (0.49) KMT2AMEN1LMNAMAPTESR1
SCHEMBL27594448 0.75 KMT2A (0.39) KMT2AMEN1LMNAMAPTESR1
SCHEMBL15132784 0.72 KMT2A (0.48) KMT2AMEN1LMNAMAPTESR1
SCHEMBL9099722 0.72 KMT2A (0.48) KMT2AMEN1LMNAMAPTESR1
SCHEMBL6632471 0.71 ABL1 (0.46) LMNAMAPTALDH1A1MAPK1CYP1A2
SCHEMBL6567692 0.70 ALDH1A1 (0.56) KMT2AMEN1LMNAMAPTESR1
SCHEMBL14143399 0.70 ALDH1A1 (0.56) KMT2AMEN1LMNAMAPTESR1
SCHEMBL9099532 0.68 KMT2A (0.43) KMT2AMEN1LMNAMAPTESR1
SCHEMBL4044632 0.68 KMT2A (0.44) KMT2AMEN1LMNAMAPTESR1

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
US-20060282123-A1 Electrical devices and anti-scarring agents ANGIOTECH INTERNATIONAL AG (CH) 2006-12-14 US disclosed