SCHEMBL7298693

SCHEMBL7298693

Nc1cc(I)ccc1Nc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.59
GAA P10253 13/20 0.59
KDM4E B2RXH2 10/20 0.59
ALDH1A1 P00352 10/20 0.59
MEN1 O00255 7/20 0.59
KMT2A Q03164 7/20 0.59
LMNA P02545 3/20 0.59
CYP1A2 P05177 2/20 0.59
CYP2C9 P11712 2/20 0.59
CYP2C19 P33261 2/20 0.59
CYP2D6 P10635 1/20 0.59
GFER P55789 5/20 0.57
HSD17B10 Q99714 4/20 0.57
L3MBTL1 Q9Y468 4/20 0.57
HPGD P15428 3/20 0.57
THRB P10828 1/20 0.57
TDP1 Q9NUW8 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
HTT P42858 3/20 0.50
ALOX15 P16050 3/20 0.50

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
SCHEMBL18830754 0.84 MAPT (0.65) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL8465011 0.80 MAPT (0.66) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL8693690 0.80 MAPT (0.63) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL656253 0.80 GAA (0.69) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL5084625 0.79 MAPT (0.67) MAPTGAAKDM4EALDH1A1MEN1
Hydrochloric Acid SCHEMBL9796928 0.78 MAPT (0.61) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL5080900 0.77 MAPT (0.64) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL8550702 0.77 GAA (0.59) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL1336716 0.77 MAPT (0.62) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL952942 0.77 MAPT (0.59) MAPTGAAKDM4EALDH1A1MEN1

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-0604353-B1 Benzimidazole compounds, their preparation and use NEUROSEARCH AS (DK) 1998-07-01 EP disclosed