SCHEMBL5339693

SCHEMBL5339693

C=CCOC(=O)c1cccc(N)c1N

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.77
HSD17B10 Q99714 8/20 0.77
TSHR P16473 2/20 0.77
CYP3A4 P08684 2/20 0.67
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 3/20 0.42
POLB P06746 2/20 0.42
HPGD P15428 3/20 0.42
TP53 P04637 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 2/20 0.42
GLA P06280 1/20 0.42
HIF1A Q16665 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 4/20 0.42
NFKB1 P19838 1/20 0.41

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
SCHEMBL8041829 0.92 CYP3A4 (0.73) ALDH1A1HSD17B10TSHRCYP3A4MEN1
SCHEMBL759012 0.87 ALDH1A1 (1.00) ALDH1A1HSD17B10TSHRCYP3A4MEN1
SCHEMBL8788785 0.86 ALDH1A1 (0.74) ALDH1A1HSD17B10TSHRCYP3A4MEN1
Hydrochloric Acid SCHEMBL28469611 0.85 ALDH1A1 (0.97) ALDH1A1HSD17B10TSHRCYP3A4MEN1
SCHEMBL8991913 0.84 ALDH1A1 (0.72) ALDH1A1HSD17B10TSHRCYP3A4MEN1
SCHEMBL7563232 0.84 ALDH1A1 (0.72) ALDH1A1HSD17B10TSHRCYP3A4MEN1
SCHEMBL8992671 0.84 ALDH1A1 (0.63) ALDH1A1HSD17B10TSHRCYP3A4MEN1
SCHEMBL8991912 0.84 ALDH1A1 (0.63) ALDH1A1HSD17B10TSHRCYP3A4MEN1
SCHEMBL2361415 0.84 ALDH1A1 (0.63) ALDH1A1HSD17B10TSHRCYP3A4MEN1
SCHEMBL8765881 0.84 ALDH1A1 (0.63) ALDH1A1HSD17B10TSHRCYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0841924-B1 BENZIMIDAZOLE COMPOUNDS UNIV NEWCASTLE VENTURES LTD (GB) 2002-10-02 EP claimed
EP-0841924-A1 BENZIMIDAZOLE COMPOUNDS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1998-05-20 EP claimed
WO-1997004771-A1 BENZIMIDAZOLE COMPOUNDS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1997-02-13 WO claimed
CN-107089972-B Preparation method of candesartan cilexetil 浙江华海药业股份有限公司 2021-05-18 CN disclosed
EP-1778650-A1 PROCESS FOR PREPARING CANDESARTAN CILEXETIL Dr. Reddy's Laboratories Ltd. (IN) 2007-05-02 EP disclosed
WO-2006015134-A1 PROCESS FOR PREPARING CANDESARTAN CILEXETIL DR. REDDY'S LABORATORIES LTD. (IN) 2006-02-09 WO disclosed
US-6512000-B1 Aminocarbonyl- substituted benzimidazole derivatives for the treatment of diseases in which inhibition of tryptase is of therapeutic such as for treating an inflammatory or allergic disease BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-01-28 US disclosed
EP-0841924-B1 BENZIMIDAZOLE COMPOUNDS UNIV NEWCASTLE VENTURES LTD (GB) 2002-10-02 EP disclosed
US-6310082-B1 PHARMACEUTICAL COMPOSITION COMPRISING EFFECTIVE POLY(ADP-RIBOSE)POLYMERASE ENZYME INHIBITING AMOUNT OF BENZIMIDAZOLE COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT AND/OR PRO-DRUG FORM THEREOF, WITH ACCEPTABLE CARRIER NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 2001-10-30 US disclosed
US-6100283-A PRODRUG PHOSPHATE DERIVATIVE FOR POLY (ADP-RIBOSE) POLYMERASE ENZYME INHIBITOR FOR ADMINISTERING IN CONJUNCTION WITH ANTITUMOR DRUG OR RADIOTHERAPY NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 2000-08-08 US disclosed
EP-0841924-A1 BENZIMIDAZOLE COMPOUNDS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1998-05-20 EP disclosed
WO-1997004771-A1 BENZIMIDAZOLE COMPOUNDS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1997-02-13 WO disclosed