SCHEMBL7148418

SCHEMBL7148418

COc1cccc(Nc2nc3cc(OS(=O)(=O)c4ccc(NC5CCCC5)cc4)ccc3[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 4/20 0.47
GALR1 P47211 4/20 0.47
MAPT P10636 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PDE9A O76083 1/20 0.43
HTR6 P50406 2/20 0.40
TP53 P04637 2/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CCR6 P51684 1/20 0.38
IDH2 P48735 1/20 0.38
PDE4B Q07343 1/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
MET P08581 1/20 0.37

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
SCHEMBL5042961 0.92 HTR6 (0.45) GALR2GALR1MEN1KMT2APDE9A
SCHEMBL5033699 0.90 NPC1 (0.46) GALR2GALR1MAPTMEN1KMT2A
SCHEMBL5037857 0.89 ENPP3 (0.40) MEN1KMT2AHTR6CCR6
SCHEMBL5033414 0.89 MAPT (0.41) MAPTMEN1KMT2AHTR6TP53
SCHEMBL5033747 0.86 ENPP3 (0.39) GALR2GALR1HTR6CCR6IDH2
SCHEMBL5033423 0.86 ENPP3 (0.40) MAPTMEN1KMT2AHTR6
SCHEMBL5033442 0.84 NPC1 (0.38) MAPTHTR6NPC1
SCHEMBL5041016 0.84 MAPT (0.46) MAPTTP53POLBSMN1; SMN2NPC1
SCHEMBL5043065 0.83 NPC1 (0.44) MAPTMEN1KMT2AHTR6POLB
SCHEMBL5042842 0.81 MAPT (0.42) MAPTMEN1KMT2ATP53SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1298125-A1 Substituted benzimidazole compounds and their use for the treatment of cancer Aventis Pharma S.A. (FR) 2003-04-02 EP disclosed