SCHEMBL5880558

SCHEMBL5880558

O=C(Cn1c(C(=O)O)nc2c(C(=O)NCCO)cccc21)Nc1ccc(Cl)cn1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.43
KMT2A Q03164 2/20 0.42
F2 P00734 1/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 5/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
NPC1 O15118 2/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL3374046 0.83 ALDH1A1 (0.46) F10F2ALDH1A1SMN1; SMN2RAB9A
SCHEMBL3369734 0.83 F10 (0.63) F10F2
SCHEMBL3370092 0.81 RAB9A (0.45) F10KMT2AF2ALDH1A1SMN1; SMN2
SCHEMBL3369492 0.80 ALDH1A1 (0.43) F10F2ALDH1A1SMN1; SMN2RAB9A
SCHEMBL3369950 0.80 F10 (0.43) F10F2ALDH1A1SMN1; SMN2RAB9A
SCHEMBL5880602 0.80 RAB9A (0.46) F10KMT2AF2ALDH1A1SMN1; SMN2
SCHEMBL3373004 0.80 MOK (0.45) F10KMT2AF2ALDH1A1SMN1; SMN2
SCHEMBL3368838 0.79 ALDH1A1 (0.43) F10F2ALDH1A1SMN1; SMN2RAB9A
SCHEMBL3371312 0.78 F10 (0.45) F10KMT2AF2ALDH1A1SMN1; SMN2
SCHEMBL3367236 0.77 F10 (0.61) F10KMT2AALDH1A1SMN1; SMN2RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006528213-A 2006-12-14 JP claimed
EP-1636216-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-03-22 EP claimed
WO-2004101553-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 WO claimed