SCHEMBL8382010

SCHEMBL8382010

N=C(N)c1ccc(C(=O)NCCNc2c(C(=O)O)c(=O)c3ccccc3n2Cc2nccs2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.39
F10 P00742 7/20 0.36
TPSAB1 Q15661 1/20 0.36
LMNA P02545 2/20 0.34
KLKB1 P03952 1/20 0.34
F2 P00734 4/20 0.34
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
PRSS1 P07477 1/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 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
SCHEMBL8378813 0.95 EGLN1 (0.38) EGLN1F10TPSAB1LMNAKLKB1
SCHEMBL8382712 0.88 EGLN1 (0.39) EGLN1F10TPSAB1KLKB1F2
SCHEMBL8382987 0.86 F10 (0.38) EGLN1F10TPSAB1KLKB1F2
SCHEMBL8382018 0.79 HDAC6 (0.35) EGLN1F10LMNAKLKB1F2
SCHEMBL8380898 0.76 SLC6A7 (0.43) F10TSHR
SCHEMBL27412209 0.75 GLA (0.40) EGLN1GAATSHRPOLB
SCHEMBL27476670 0.73 SCN9A (0.40) EGLN1RAB9ATSHR
SCHEMBL9078301 0.72 CSNK2A1 (0.35) EGLN1F10F2F7F3
SCHEMBL7014454 0.71 F10 (0.34) EGLN1F10F2F7F3
SCHEMBL7013669 0.70 F10 (0.38) F10LMNAF2F7F3

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
US-5889009-A ADMINISTERING 1,7-DISUBSTITUTED-4-OX-3-(QUINOLINECARBOXYLIC ACID OR NAPHTHYRIDINECARBOXYLIC ACID) TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-30 US disclosed
US-5703081-A CELL ADHESION INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-12-30 US disclosed