SCHEMBL28020833

SCHEMBL28020833

COc1ccc(-c2[c]cc(N3CCCCC3=O)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.44
F2 P00734 3/20 0.44
SLC29A1 Q99808 1/20 0.44
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 2/20 0.42
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
HIF1A Q16665 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 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
SCHEMBL611715 0.82 F10 (0.57) F10F2SLC29A1POLBMEN1
SCHEMBL608919 0.81 F10 (0.58) F10F2SLC29A1POLBMEN1
SCHEMBL27729038 0.79 F10 (0.39) F10F2SLC29A1MEN1KMT2A
SCHEMBL29930365 0.78 TP53 (0.59) F10F2SLC29A1POLBMEN1
SCHEMBL609306 0.78 TP53 (0.59) F10F2SLC29A1POLBMEN1
SCHEMBL28751156 0.75 DRD2 (0.38) F10MEN1KMT2AMAPTHTT
SCHEMBL28020459 0.74 F10 (0.38) F10F2SLC29A1MEN1KMT2A
SCHEMBL18605054 0.74 ALDH1A1 (0.46) TP53MAPTHTTHIF1ANPSR1
SCHEMBL24262954 0.73 F10 (0.48) F10F2SLC29A1KMT2ATP53
SCHEMBL27610830 0.73 CHEK1 (0.35) 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 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