SCHEMBL8419183

SCHEMBL8419183

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
TP53 P04637 3/20 0.35
MAPT P10636 3/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
AGTR2 P50052 1/20 0.33
CHRNA7 P36544 1/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL8417957 0.90 ALOX15 (0.41) ALOX15TP53MAPTLMNAPOLB
SCHEMBL8421085 0.89 ALOX15 (0.40) ALOX15TP53MAPTLMNAPOLB
SCHEMBL8419605 0.88 ALOX15 (0.39) ALOX15TP53MAPTLMNAPOLB
SCHEMBL8419161 0.88 ALOX15 (0.39) ALOX15TP53MAPTLMNAPOLB
SCHEMBL8419174 0.86 ALDH1A1 (0.38) ALOX15TP53MAPTLMNAPOLB
SCHEMBL8422201 0.86 ALOX15 (0.40) ALOX15TP53MAPTLMNAPOLB
SCHEMBL8421062 0.86 GABRG2 (0.35) MAPTNPC1MAPK1RAB9APOLB
SCHEMBL8417426 0.84 TSHR (0.37) ALOX15POLBAGTR2
SCHEMBL8417855 0.84 ALOX15 (0.36) ALOX15TP53MAPTLMNAAGTR2
SCHEMBL8419277 0.84 ALOX15 (0.36) ALOX15AGTR2

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