SCHEMBL7298939

SCHEMBL7298939

Nc1ccccc1Nc1cccc(I)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.62
GAA P10253 5/20 0.62
KDM4E B2RXH2 4/20 0.62
ALDH1A1 P00352 3/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
LMNA P02545 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.58
RAB9A P51151 2/20 0.58
TP53 P04637 1/20 0.53
APP P05067 1/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
SNCA P37840 1/20 0.53
BLM P54132 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL7166997 0.86 MAPT (0.75) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL7389020 0.81 MAPT (0.67) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL7171246 0.81 MAPT (0.67) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL18830754 0.80 MAPT (0.65) MAPTGAAKDM4EALDH1A1MEN1
Methane SCHEMBL28002260 0.79 MAPT (0.64) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL7392127 0.79 MAPT (0.70) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL4054374 0.78 MAPT (0.62) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL9559159 0.78 MAPT (0.62) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL4945848 0.78 MAPT (0.65) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL4716263 0.78 MAPT (0.63) 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 3 patents. 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
US-5441969-A Imidazole compounds, their preparation and use NEUROSEARCH A/S (DK) 1995-08-15 US disclosed
EP-0604353-A1 Benzimidazole compounds, their preparation and use NEUROSEARCH A/S (DK) 1994-06-29 EP disclosed