SCHEMBL2641972

SCHEMBL2641972

Nc1cc(C(F)(F)F)ccc1Nc1cccc(I)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.70
ALDH1A1 P00352 3/20 0.70
GAA P10253 2/20 0.70
KDM4E B2RXH2 2/20 0.70
MEN1 O00255 1/20 0.70
GFER P55789 1/20 0.70
KMT2A Q03164 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
RAB9A P51151 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
MAPK14 Q16539 1/20 0.42
MPO P05164 3/20 0.42
ADORA2A P29274 1/20 0.41
LMNA P02545 1/20 0.41
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
EGFR P00533 1/20 0.41
AKR1B1 P15121 1/20 0.41

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
Hydrochloric Acid SCHEMBL2642003 0.99 MAPT (0.68) MAPTALDH1A1GAAKDM4EMEN1
SCHEMBL17026895 0.82 MAPT (0.70) MAPTALDH1A1GAAKDM4EMEN1
SCHEMBL11390047 0.79 ALDH1A1 (0.81) MAPTALDH1A1GAAKDM4EMEN1
SCHEMBL1356666 0.78 GAA (0.68) MAPTALDH1A1GAAKDM4EMEN1
SCHEMBL2641949 0.77 AKR1B1 (0.69) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL7298939 0.76 MAPT (0.62) MAPTALDH1A1GAAKDM4EMEN1
SCHEMBL29414647 0.75 MAPT (1.00) MAPTALDH1A1GAAKDM4EMEN1
SCHEMBL4064881 0.75 MAPT (1.00) MAPTALDH1A1GAAKDM4EMEN1
Hydrochloric Acid SCHEMBL10529934 0.75 ALDH1A1 (0.73) MAPTALDH1A1GAAKDM4EMEN1
SCHEMBL11397234 0.74 MAPT (0.71) MAPTALDH1A1GAAKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0616807-B1 Benzimidazole useful in the treatment of central nervous system disorders NEUROSEARCH AS (DK) 1998-07-08 EP disclosed
EP-0604353-B1 Benzimidazole compounds, their preparation and use NEUROSEARCH AS (DK) 1998-07-01 EP disclosed
US-5554632-A CENTRAL NERVOUS SYSTEM NEUROSEARCH A/S (DK) 1996-09-10 US disclosed
US-5554630-A TREATING ANXIETY, CONVULSIONS AND SLEEP DISORDERS IN LIVING ANIMALS BY MODULATION OF THE BENZODIAZEPINE RECEPTOR OF THE CENTRAL NERVOUS SYSTEM WITH 1-/3-HETEROCYCLYLPHENYL/-BENZIMIDAZOLES NEUROSEARCH A/S (DK) 1996-09-10 US disclosed
EP-0563001-B1 Imidazole compounds, their preparation and use NEUROSEARCH AS (DK) 1996-02-28 EP disclosed
US-5441969-A Imidazole compounds, their preparation and use NEUROSEARCH A/S (DK) 1995-08-15 US disclosed
US-5360809-A Imidazole compounds and their use as calcium channel blockers NEUROSEARCH A/S (DK) 1994-11-01 US disclosed
EP-0616807-A1 Benzimidazole useful in the treatment of central nervous system disorders NEUROSEARCH A/S (DK) 1994-09-28 EP disclosed
EP-0604353-A1 Benzimidazole compounds, their preparation and use NEUROSEARCH A/S (DK) 1994-06-29 EP disclosed
EP-0563001-A1 Imidazole compounds, their preparation and use NEUROSEARCH A/S (DK) 1993-09-29 EP disclosed