SCHEMBL9926718

SCHEMBL9926718

CNc1ccc(C(=O)N(CCC(=O)O)c2ccccn2)cc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
HSD17B10 Q99714 1/20 0.51
F2 P00734 5/20 0.51
NQO2 P16083 2/20 0.50
SLC22A2 O15244 1/20 0.50
F10 P00742 1/20 0.50
PLG P00747 1/20 0.50
PLAT P00750 1/20 0.50
PROC P04070 1/20 0.50
HPN P05981 1/20 0.50
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
SLC47A2 Q86VL8 1/20 0.50
SLC47A1 Q96FL8 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MAPK1 P28482 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49

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
SCHEMBL17028812 0.94 F2 (0.46) SMN1; SMN2HSD17B10F2NQO2SLC22A2
SCHEMBL28707229 0.88 SMN1; SMN2 (0.46) SMN1; SMN2HSD17B10F2NQO2SLC22A2
SCHEMBL29500798 0.88 SMN1; SMN2 (0.46) SMN1; SMN2HSD17B10F2NQO2SLC22A2
SCHEMBL30407813 0.88 NQO2 (0.54) SMN1; SMN2HSD17B10F2NQO2SLC22A2
SCHEMBL1269634 0.88 NQO2 (0.54) SMN1; SMN2HSD17B10F2NQO2SLC22A2
SCHEMBL15150307 0.86 ALDH1A1 (0.48) SMN1; SMN2HSD17B10F2NQO2SLC22A2
SCHEMBL27944294 0.86 SMN1; SMN2 (0.42) SMN1; SMN2HSD17B10F2NQO2SLC22A2
SCHEMBL12922436 0.84 SMN1; SMN2 (0.46) SMN1; SMN2HSD17B10F2NQO2SLC22A2
SCHEMBL20211322 0.83 ALDH1A1 (0.66) SMN1; SMN2HSD17B10F2NQO2SLC22A2
SCHEMBL15562826 0.83 TSHR (0.41) SMN1; SMN2HSD17B10F2ALDH1A1MAPK1

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-2834224-B1 PROCESS FOR THE PREPARATION OF BENZIMIDAZOLE DERIVATIVES AND SALTS THEREOF MSN LAB LTD (IN) 2018-06-06 EP claimed
WO-2015128875-A2 A PROCESS FOR PREPARATION OF DABIGATRAN ETEXILATE MESYLATE AND INTERMEDIATES THEREOF MEGAFINE PHARMA (P) LTD. (IN) 2015-09-03 WO claimed
CN-106033079-B Method for detecting related substance imidazole in starting material F of dabigatran etexilate mesylate 成都百裕制药股份有限公司 2020-08-21 CN disclosed
WO-2015128875-A2 A PROCESS FOR PREPARATION OF DABIGATRAN ETEXILATE MESYLATE AND INTERMEDIATES THEREOF MEGAFINE PHARMA (P) LTD. (IN) 2015-09-03 WO disclosed
WO-2012077136-A2 PROCESS FOR THE PREPARATION OF BENZIMIDAZOLE DERIVATIVES AND ITS SALTS MSN LABORATORIES LIMITED (IN) 2012-06-14 WO disclosed