SCHEMBL5224315

SCHEMBL5224315

COc1ccc(-c2cc(Sc3ccccc3)nnc2-c2ccc(OC)c(OC)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.44
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ACACA Q13085 1/20 0.41
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 0.40
TUBA4A P68366 2/20 0.40
TUBB4B P68371 2/20 0.40
TUBB3 Q13509 2/20 0.40
TUBB2A Q13885 2/20 0.40
TUBB8 Q3ZCM7 2/20 0.40
TUBA3E Q6PEY2 2/20 0.40
TUBA1A Q71U36 2/20 0.40
TUBA1C Q9BQE3 2/20 0.40
TUBB6 Q9BUF5 2/20 0.40
TUBB2B Q9BVA1 2/20 0.40
TUBB1 Q9H4B7 2/20 0.40
ALDH1A1 P00352 6/20 0.39

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
SCHEMBL5221810 0.90 ALDH1A1 (0.46) L3MBTL1NPC1RAB9AACACAALDH1A1
SCHEMBL5225894 0.76 DYRK1A (0.44) L3MBTL1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5222944 0.74 ALDH1A1 (0.40) L3MBTL1NPC1RAB9AALDH1A1KDM4E
SCHEMBL5225080 0.73 NPSR1 (0.50) L3MBTL1ALDH1A1MEN1KMT2ALMNA
SCHEMBL5227509 0.72 MAPT (0.55) L3MBTL1NPC1RAB9AALDH1A1KDM4E
SCHEMBL3945127 0.71 PDE4A (0.61) L3MBTL1NPC1RAB9AKDM4EHSD17B10
SCHEMBL5227004 0.69 NPC1 (0.62) L3MBTL1NPC1RAB9AACACAALDH1A1
SCHEMBL6985387 0.68 SQOR (0.39) NPC1RAB9AALDH1A1KDM4EMEN1
SCHEMBL5222047 0.68 SYK (0.42) L3MBTL1NPC1RAB9AALDH1A1KDM4E
SCHEMBL5221958 0.67 ALDH1A1 (0.51) L3MBTL1NPC1RAB9AACACAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1845089-A1 Novel lactams and uses thereof AstraZeneca AB (SE) 2007-10-17 EP claimed
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