SCHEMBL6027211

SCHEMBL6027211

O=C(Nc1cccc(-c2cnc(-c3ccc(NCc4ccccn4)cc3)[nH]2)c1)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 5/20 0.45
HDAC6 Q9UBN7 1/20 0.45
KDR P35968 7/20 0.44
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
BACE1 P56817 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ALOX15 P16050 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL6027212 0.89 KDR (0.55) GRM4HDAC6KDRKCNK3KCNK9
SCHEMBL6889061 0.86 GRM4 (0.56) GRM4HDAC6KDRKCNK3KCNK9
SCHEMBL6885328 0.85 KDR (0.55) GRM4HDAC6KDRKCNK3KCNK9
SCHEMBL1624812 0.73 GRM4 (0.57) GRM4HDAC6
SCHEMBL31660405 0.72 BACE1 (0.61) KCNK3KCNK9BACE1SMN1; SMN2NPC1
SCHEMBL26094468 0.72 BACE1 (0.61) KCNK3KCNK9BACE1SMN1; SMN2NPC1
SCHEMBL6030750 0.70 RAB9A (0.62) GRM4KDRSMN1; SMN2NPC1RAB9A
SCHEMBL20425479 0.69 ADORA3 (0.63) KCNK3KCNK9BACE1SMN1; SMN2ALOX15
SCHEMBL7990375 0.69 KDR (0.84) GRM4HDAC6KDRKCNK3KCNK9
SCHEMBL19443380 0.69 LMNA (0.48) BACE1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1613310-A1 IMIDAZOLE DERIVATIVES FOR TREATMENT OF ALLERGIC AND HYPERPROLIFERATIVE DISORDERS Avanir Pharmaceuticals (US) 2006-01-11 EP disclosed
WO-2004091610-A1 IMIDAZOLE DERIVATIVES FOR TREATMENT OF ALLERGIC AND HYPERPROLIFERATIVE DISORDERS AVANIR PHARMACEUTICALS (US) 2004-10-28 WO disclosed