SCHEMBL7098753

SCHEMBL7098753

COc1cccc(NC(=S)Nc2ccc(Oc3ccc4[nH]c(NC(=O)O)nc4c3)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.57
TEK Q02763 7/20 0.57
ABL1 P00519 1/20 0.49
QPCT Q16769 1/20 0.49
RAF1 P04049 1/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
IDO1 P14902 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
NPC1 O15118 1/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47

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
SCHEMBL5344568 0.93 KDR (0.67) KDRTEKABL1QPCTRAF1
SCHEMBL7020344 0.85 TEK (0.72) KDRTEKRAF1MAPTALDH1A1
SCHEMBL5344697 0.82 KDR (0.74) KDRTEKRAF1
SCHEMBL5346860 0.82 KDR (0.78) KDRTEKRAF1
SCHEMBL5341929 0.82 KDR (0.78) KDRTEKRAF1
SCHEMBL11872027 0.81 KDR (0.54) KDRTEKABL1MEN1MAPT
SCHEMBL5345277 0.80 TEK (0.87) KDRTEKRAF1MAPTALDH1A1
SCHEMBL5349129 0.79 KDR (0.74) KDRTEKRAF1
SCHEMBL7011703 0.79 NTRK1 (0.55) KDRTEKRAF1MEN1MAPT
SCHEMBL5344565 0.79 KDR (0.57) KDRTEKABL1NPC1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1341771-A2 BENZIMIDAZOLE DERIVATIVES USEFUL AS TIE-2 AND/OR VEGFR-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2003-09-10 EP claimed
WO-2002044156-A2 BENZIMIDAZOLE DERIVATIVES USEFUL AS TIE-2 AND/OR VEGFR-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2002-06-06 WO claimed
EP-1341771-A2 BENZIMIDAZOLE DERIVATIVES USEFUL AS TIE-2 AND/OR VEGFR-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2003-09-10 EP disclosed
WO-2002044156-A2 BENZIMIDAZOLE DERIVATIVES USEFUL AS TIE-2 AND/OR VEGFR-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2002-06-06 WO disclosed