SCHEMBL28020459

SCHEMBL28020459

COc1ccc(-c2[c]cc(N3CCCCC3=O)c(C[SH](=O)=O)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.38
TP53 P04637 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
F2 P00734 2/20 0.33
SLC29A1 Q99808 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL27729038 0.82 F10 (0.39) F10TP53MEN1KMT2ACYP11B1
SCHEMBL28020833 0.74 F10 (0.44) F10TP53MEN1KMT2ALMNA
SCHEMBL611715 0.66 F10 (0.57) F10TP53MEN1KMT2ALMNA
SCHEMBL608919 0.65 F10 (0.58) F10TP53MEN1KMT2AHTT
SCHEMBL8136067 0.65 TP53 (0.48) F10TP53HTT
SCHEMBL24262954 0.64 F10 (0.48) F10TP53KMT2ALMNAHTT
SCHEMBL1922766 0.63 TP53 (0.49) F10TP53MEN1KMT2AHTT
SCHEMBL13660064 0.62 MAPT (0.51) F10TP53CYP11B1CYP11B2LMNA
SCHEMBL2191827 0.62 CRHR1 (0.57) TP53MEN1KMT2AHTTMAPT
SCHEMBL11119022 0.62 HTT (0.55) TP53LMNAHTTMAPT

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
CN-104744461-A Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL MYERS SQUIBB CO 2015-07-01 CN disclosed