SCHEMBL7979859

SCHEMBL7979859

CCOC(=O)C(C(=O)NC1(c2ccc3c(c2)nc(Cc2ccc(C#N)cc2)c(=O)n3C)CC1)C1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.48
F10 P00742 9/20 0.48
PLG P00747 7/20 0.48
PRSS1 P07477 2/20 0.47
PRSS2 P07478 2/20 0.47
PRSS3 P35030 2/20 0.47
TSHR P16473 2/20 0.37
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
ITK Q08881 4/20 0.35
KDM4E B2RXH2 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
AURKA O14965 1/20 0.34
MAP4K4 O95819 1/20 0.34
CHEK2 O96017 1/20 0.34
PRKCG P05129 1/20 0.34
PHKG2 P15735 1/20 0.34
MARK3 P27448 1/20 0.34
FLT3 P36888 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
SCHEMBL7979857 0.84 F2 (0.45) F2F10PLGPRSS1PRSS2
SCHEMBL7425127 0.82 F2 (0.48) F2F10PLGPRSS1PRSS2
SCHEMBL7984674 0.80 F2 (0.65) F2F10PLGPRSS1PRSS2
SCHEMBL7979862 0.80 F2 (0.65) F2F10PLGPRSS1PRSS2
Hydrochloric Acid SCHEMBL7422765 0.80 F2 (0.64) F2F10PLGPRSS1PRSS2
SCHEMBL7968917 0.79 F2 (0.48) F2F10PLGPRSS1PRSS2
SCHEMBL7985234 0.78 F2 (0.69) F2F10PLGPRSS1PRSS2
Hydrochloric Acid SCHEMBL7981002 0.77 F2 (0.53) F2F10PLGPRSS1PRSS2
SCHEMBL7426925 0.74 F2 (0.72) F2F10PLGPRSS1PRSS2
SCHEMBL8029667 0.73 ITK (0.43) F2F10PLGPRSS1PRSS2

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-6200976-B1 FOR TREATING THROMBOSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-13 US disclosed