SCHEMBL3371323

SCHEMBL3371323

O=C(Cn1c(C(=O)NC2CCN(C3CC3)CC2)nc2c(OC(=O)O)cccc21)Nc1ccc(Cl)cn1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.50
F2 P00734 3/20 0.50
ALDH1A1 P00352 1/20 0.40
LMNA P02545 3/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL3368996 0.93 F10 (0.52) F10F2ALDH1A1LMNARAB9A
SCHEMBL3368985 0.90 F10 (0.64) F10F2
SCHEMBL3369485 0.88 F10 (0.52) F10F2ALDH1A1LMNARAB9A
SCHEMBL3369922 0.86 F10 (0.52) F10F2ALDH1A1LMNASMN1; SMN2
SCHEMBL1382441 0.84 F10 (0.48) F10F2ALDH1A1LMNASMN1; SMN2
SCHEMBL3374120 0.84 F10 (0.64) F10F2
SCHEMBL1380548 0.80 F10 (0.65) F10F2
SCHEMBL1383452 0.80 F10 (0.63) F10F2
SCHEMBL1379117 0.78 F10 (0.61) F10F2
SCHEMBL1381138 0.78 F10 (0.67) F10F2

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
EP-1636216-B1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2010-07-21 EP claimed