SCHEMBL6002413

SCHEMBL6002413

CCCCON(C=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.41
TDP1 Q9NUW8 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
TSHR P16473 3/20 0.39
GAA P10253 1/20 0.38
BCHE P06276 4/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
ACHE P22303 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
JAK2 O60674 1/20 0.36
RAB9A P51151 1/20 0.36
PAX8 Q06710 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL6003116 0.95 LTA4H (0.41) LTA4HTDP1L3MBTL1TSHRCYP2C9
SCHEMBL27338617 0.93 TSHR (0.41) LTA4HTDP1L3MBTL1TSHRCYP2C9
SCHEMBL8351572 0.93 TSHR (0.41) LTA4HTDP1L3MBTL1TSHRCYP2C9
SCHEMBL6002127 0.93 TSHR (0.41) LTA4HTDP1L3MBTL1TSHRCYP2C9
SCHEMBL27629475 0.85 SIGMAR1 (0.42) BCHEACHENPC1JAK2RAB9A
SCHEMBL27555967 0.83 TDP1 (0.31) TDP1L3MBTL1TSHRGAAALDH1A1
SCHEMBL509868 0.82 ALDH1A1 (0.38) TSHRALDH1A1NPC1RAB9ANPSR1
SCHEMBL27528616 0.82 TDP1 (0.31) TDP1L3MBTL1TSHRGAA
SCHEMBL27507123 0.80 CA12 (0.36) LTA4HTSHRCYP2C9CYP2C19CYP1A2
SCHEMBL27787539 0.78 CHRNB2 (0.37) TDP1ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
US-4889869-A ANTIALDOSTERONISM AGENTS CIBA-GEIGY CORPORATION (US) 1989-12-26 US disclosed