SCHEMBL27540690

SCHEMBL27540690

C=C(c1ccccn1)c1cc(C(=O)Nc2ccccc2)ccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 9/20 0.57
▸ KCNK3 O14649 1/20 0.57
▸ KCNK9 Q9NPC2 1/20 0.57
▸ KDR P35968 3/20 0.54
▸ HDAC6 Q9UBN7 2/20 0.52
▸ AURKB Q96GD4 2/20 0.51
▸ PPARG P37231 1/20 0.51
▸ CES1 P23141 1/20 0.51

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
SCHEMBL3789815 0.79 PPARG (0.74) KCNK3KCNK9PPARG
SCHEMBL231897 0.77 KDR (0.78) GRM4KCNK3KCNK9KDRHDAC6
SCHEMBL993581 0.77 KDR (0.64) GRM4KCNK3KCNK9KDRHDAC6
SCHEMBL29184186 0.76 KDR (0.76) GRM4KCNK3KCNK9KDRHDAC6
SCHEMBL10322846 0.75 PLAU (0.61) KCNK3KCNK9PPARG
SCHEMBL30693673 0.73 NPC1 (0.63) GRM4KCNK3KCNK9KDRAURKB
SCHEMBL4323035 0.73 NPC1 (0.63) GRM4KCNK3KCNK9KDRAURKB
SCHEMBL10860493 0.73 MEN1 (0.59) GRM4KCNK3KCNK9
SCHEMBL3645013 0.73 MEN1 (0.74) HDAC6
SCHEMBL6278943 0.72 GRM4 (1.00) GRM4HDAC6

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
CN-1285578-C Substituted benzoic acid amides and their use in inhibiting angiogenesis SCHERING AG (DE) 2006-11-22 — — CN disclosed
CN-1426396-A Substituted benzoic acid amides and use for inhibition of angiogenesis thereof SCHERING AG (DE) 2003-06-25 — — CN disclosed
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