SCHEMBL5880602

SCHEMBL5880602

O=C(Cn1c(C(=O)O)nc2ccc(C(=O)NCCO)cc21)Nc1ccc(Cl)cn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
F10 P00742 2/20 0.45
ACSS2 Q9NR19 6/20 0.44
NPC1 O15118 2/20 0.44
KMT2A Q03164 2/20 0.44
F2 P00734 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 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
SCHEMBL3798321 0.89 F10 (0.48) RAB9AF10NPC1KMT2AALDH1A1
SCHEMBL3371067 0.83 F10 (0.61) F10F2
SCHEMBL3796477 0.81 F10 (0.48) RAB9AF10NPC1KMT2AALDH1A1
SCHEMBL3369990 0.80 ACSS2 (0.45) RAB9AF10ACSS2NPC1KMT2A
SCHEMBL3372806 0.80 RAB9A (0.50) RAB9AF10ACSS2NPC1KMT2A
SCHEMBL5880558 0.80 F10 (0.43) RAB9AF10NPC1KMT2AF2
SCHEMBL3367236 0.79 F10 (0.61) RAB9AF10NPC1KMT2AALDH1A1
SCHEMBL1378467 0.76 F10 (0.61) F10F2
SCHEMBL1377971 0.75 F10 (0.65) F10F2
SCHEMBL3374082 0.74 RAB9A (0.50) RAB9AF10NPC1ALDH1A1SMN1; SMN2

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