SCHEMBL7148415

SCHEMBL7148415

COc1cccc(N(NC(N)=O)c2nc3cc(OS(=O)(=O)c4ccc(NC5CCCC5)cc4)ccc3[nH]2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
HPGDS O60760 2/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
GALR2 O43603 1/20 0.34
GALR1 P47211 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
GPR17 Q13304 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HPGD P15428 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HTR6 P50406 2/20 0.34
PDE4B Q07343 1/20 0.34

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
SCHEMBL7142590 0.93 HTR6 (0.37) MAPTSMN1; SMN2POLBHPGDSALDH1A1
SCHEMBL7141760 0.91 ROCK2 (0.33) MAPTSMN1; SMN2GAALMNAHTT
SCHEMBL7139375 0.91 ENPP3 (0.37) GPR17HTR6ENPP3ENPP1ENPP2
SCHEMBL7147110 0.87 MEN1 (0.36) MAPTHTTMEN1KMT2AHTR6
SCHEMBL7163606 0.84 ENPP3 (0.35) MAPTHTTMEN1KMT2AENPP3
SCHEMBL7141882 0.83 ENPP3 (0.36) MAPTHTTENPP3ENPP1ENPP2
SCHEMBL5037793 0.82 ENPP3 (0.39) MAPTHTTENPP3ENPP1ENPP2
SCHEMBL5040705 0.80 ENPP3 (0.36) MAPTSMN1; SMN2LMNAHTTMEN1
SCHEMBL7145205 0.79 ENPP3 (0.36) MAPTHTTENPP3ENPP1ENPP2
SCHEMBL5035960 0.79 ENPP3 (0.39) MAPTHTTENPP3ENPP1ENPP2

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