SCHEMBL8419161

SCHEMBL8419161

CCOC(=O)c1cccc2nc(C)n(-c3ccc(-c4ccccc4-c4nnn[nH]4)c(SCC)c3)c12

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.39
TP53 P04637 3/20 0.35
POLB P06746 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.33
AGTR2 P50052 1/20 0.32

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
SCHEMBL8419174 0.94 ALDH1A1 (0.38) ALOX15TP53POLBLMNAMAPT
SCHEMBL8421085 0.93 ALOX15 (0.40) ALOX15TP53POLBLMNAMAPT
SCHEMBL8418031 0.91 ABCB11 (0.34) AGTR2
SCHEMBL8417957 0.88 ALOX15 (0.41) ALOX15TP53POLBLMNAMAPT
SCHEMBL8419183 0.88 ALOX15 (0.41) ALOX15TP53POLBLMNAMAPT
SCHEMBL8419605 0.86 ALOX15 (0.39) ALOX15TP53POLBLMNAMAPT
SCHEMBL8421733 0.85 ALDH1A1 (0.35)
SCHEMBL8422201 0.84 ALOX15 (0.40) ALOX15TP53POLBLMNAMAPT
SCHEMBL8417426 0.82 TSHR (0.37) ALOX15POLBAGTR2
SCHEMBL8417855 0.82 ALOX15 (0.36) ALOX15TP53LMNAMAPTKDM4E

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
US-5962491-A ANGIOTENSIN ANTAGONIST, HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS, STROKES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-05 US disclosed
US-5705517-A ANGIOTENSIN II ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-01-06 US disclosed
US-5703110-A HYPOTENSIVE AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-12-30 US disclosed