SCHEMBL5227004

SCHEMBL5227004

COc1ccc(-c2cc(-c3ccccc3)nnc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.62
RAB9A P51151 5/20 0.62
L3MBTL1 Q9Y468 3/20 0.62
MAPT P10636 3/20 0.62
MAOB P27338 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
MITF O75030 1/20 0.62
PKM P14618 1/20 0.62
AGTR1 P30556 1/20 0.62
ACACA Q13085 1/20 0.57
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 2/20 0.54
LMNA P02545 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
BACE1 P56817 1/20 0.51
AURKA O14965 1/20 0.51
AURKB Q96GD4 1/20 0.51
DYRK1A Q13627 1/20 0.49
ABL1 P00519 1/20 0.49

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
SCHEMBL31146980 0.86 MAOB (0.66) NPC1RAB9AL3MBTL1MAPTMAOB
SCHEMBL31146983 0.85 GSTP1 (0.51) NPC1RAB9AL3MBTL1MAPTMAOB
SCHEMBL5221958 0.84 ALDH1A1 (0.51) NPC1RAB9AL3MBTL1MAPTMAOB
SCHEMBL31146981 0.84 SMARCA2 (0.61) NPC1RAB9AMAPTMAOBSMN1; SMN2
SCHEMBL1752784 0.83 SMARCA2 (0.72) NPC1RAB9AL3MBTL1MAPTMAOB
SCHEMBL1753036 0.83 AURKA (0.57) NPC1RAB9AL3MBTL1MAPTMAOB
SCHEMBL5224304 0.82 ADORA1 (0.53) NPC1RAB9AL3MBTL1MAPTSMN1; SMN2
SCHEMBL31146992 0.81 NPC1 (0.59) NPC1RAB9AL3MBTL1MAPTMAOB
SCHEMBL31146999 0.81 NPC1 (0.59) NPC1RAB9AL3MBTL1MAPTMAOB
SCHEMBL30661712 0.81 NPC1 (0.62) NPC1RAB9AL3MBTL1MAPTMAOB

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-1300399-B1 PHENYLPYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2007-08-22 EP disclosed
US-6664256-B1 Interleukin- 1 beta inhibitors KOWA CO., LTD. (JP) 2003-12-16 US disclosed
EP-1300399-A1 PHENYLPYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME Kowa Co., Ltd. (JP) 2003-04-09 EP disclosed