SCHEMBL6461802

SCHEMBL6461802

NCCC(=O)Nc1ccc(-n2ccncc2=O)cc1F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.42
USP2 O75604 1/20 0.42
F10 P00742 10/20 0.42
HSD17B10 Q99714 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
POLB P06746 2/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL6461799 0.88 LMNA (0.40) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL6460450 0.82 ITGB3 (0.47) ALDH1A1F10GAA
SCHEMBL6459181 0.78 F10 (0.55) MEN1KMT2AALDH1A1F10
SCHEMBL3548944 0.77 F10 (0.41) F10POLB
SCHEMBL3447396 0.76 F10 (0.52) F10
SCHEMBL3552468 0.75 F10 (0.41) F10POLB
SCHEMBL3448390 0.74 F10 (0.42) F10
SCHEMBL3568818 0.74 DGAT1 (0.43) LMNAF10RAB9A
SCHEMBL3548942 0.73 F10 (0.41) F10
SCHEMBL3552464 0.73 F10 (0.41) F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1571154-A1 Beta-aminoacid-derivatives as factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2005-09-07 EP claimed
EP-1571154-A1 Beta-aminoacid-derivatives as factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2005-09-07 EP disclosed