SCHEMBL2643064

SCHEMBL2643064

Ic1cccc(-n2cnc3cc(-c4ccoc4)ccc32)c1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.45
NT5E P21589 2/20 0.44
FGFR1 P11362 10/20 0.42
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL7819821 0.90 KDR (0.49) KDRNT5EFGFR1ALDH1A1HPGD
SCHEMBL2644846 0.85 KDR (0.45) KDRNT5EFGFR1ALDH1A1HPGD
SCHEMBL7830383 0.85 KDR (0.45) KDRNT5EFGFR1ALDH1A1HPGD
SCHEMBL7468883 0.85 NT5E (0.60) KDRNT5EFGFR1ALDH1A1HPGD
SCHEMBL2643652 0.82 NT5E (0.44) KDRNT5EFGFR1ALDH1A1HPGD
SCHEMBL2643078 0.81 CYP3A4 (0.49) KDRNT5EFGFR1HTTALDH1A1
SCHEMBL7828198 0.81 NT5E (0.43) KDRNT5EFGFR1HTTALDH1A1
SCHEMBL7832076 0.81 FGFR1 (0.57) KDRNT5EFGFR1ALDH1A1HPGD
SCHEMBL2646371 0.81 GABRA1 (0.53) KDRNT5EFGFR1ALDH1A1
SCHEMBL2643150 0.81 KDR (0.40) KDRNT5EFGFR1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1164134-A1 Benzimidazole compounds and their use as modulators of the GABA A receptor complex NEUROSEARCH A/S (DK) 2001-12-19 EP disclosed
EP-0821684-B1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A? RECEPTOR COMPLEX NEUROSEARCH AS (DK) 2001-12-05 EP disclosed
US-5922724-A Benzimidazole compounds and their use as modulators of the GABA a receptor complex NEUROSEARCH A/S (DK) 1999-07-13 US disclosed
EP-0821684-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A? RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 1998-02-04 EP disclosed
WO-1996033194-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 1996-10-24 WO disclosed