SCHEMBL2642010

SCHEMBL2642010

c1ccc(-c2cccc(-n3cnc4ncccc43)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
FGFR1 P11362 7/20 0.43
KMT2A Q03164 1/20 0.41
GRM5 P41594 1/20 0.41
KDR P35968 1/20 0.41
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
SRC P12931 1/20 0.39
BACE1 P56817 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
Oxalic Acid SCHEMBL2642016 0.93 FGFR1 (0.42) HTTFGFR1KMT2ASRC
SCHEMBL4352301 0.85 HTT (0.58) HTTFGFR1SRC
SCHEMBL4015486 0.80 HTT (0.71) HTTFGFR1KMT2AKDR
SCHEMBL31608474 0.77 HTT (0.49) HTTKDR
SCHEMBL2641937 0.76 GABRP (0.46) HTTFGFR1KMT2A
SCHEMBL18226399 0.76 FGFR1 (0.47) HTTFGFR1
SCHEMBL8329072 0.73 CYP17A1 (0.59) HTTFGFR1KMT2ASRC
SCHEMBL29642847 0.72 GABRA1 (0.49) HTTFGFR1KDRSRC
SCHEMBL17940732 0.72 GABRA1 (0.49) HTTFGFR1KDRSRC
SCHEMBL13045092 0.72 FGFR1 (0.57) HTTFGFR1KMT2AGRM5

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-0563001-B1 Imidazole compounds, their preparation and use NEUROSEARCH AS (DK) 1996-02-28 EP disclosed
US-5360809-A Imidazole compounds and their use as calcium channel blockers NEUROSEARCH A/S (DK) 1994-11-01 US disclosed
EP-0563001-A1 Imidazole compounds, their preparation and use NEUROSEARCH A/S (DK) 1993-09-29 EP disclosed