SCHEMBL1419477

SCHEMBL1419477

N=C(N)Nc1cc[c]cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
F2 P00734 1/20 0.38
TMPRSS6 Q8IU80 1/20 0.38
ST14 Q9Y5Y6 1/20 0.38
ALDH1A1 P00352 3/20 0.33
TP53 P04637 1/20 0.33
TYR P14679 1/20 0.33
TSHR P16473 1/20 0.33
TAS2R38 P59533 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PEPD P12955 1/20 0.32
NPC1 O15118 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
ALOX12 P18054 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL8721602 0.92 MAPT (0.41) PRSS1PRSS2PRSS3F2TMPRSS6
SCHEMBL1996992 0.82 F2 (0.50) PRSS1PRSS2PRSS3F2TMPRSS6
SCHEMBL3117207 0.76 ALDH1A1 (0.60) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL55829 0.76 PEPD (0.58) ALDH1A1HSD17B10PEPDNPC1KMT2A
SCHEMBL399197 0.75 KIF11 (0.48) PRSS1PRSS2PRSS3F2TMPRSS6
Phenylguanidine SCHEMBL256023 0.75 ALDH1A1 (0.58) PRSS1F2ALDH1A1TP53TYR
SCHEMBL2214384 0.74 ALDH1A1 (0.33) PRSS1PRSS2PRSS3ALDH1A1TP53
Phenylguanidine SCHEMBL11092906 0.73 ALDH1A1 (0.56) PRSS1F2ALDH1A1TP53TYR
SCHEMBL6880468 0.73 F2 (0.43) PRSS1PRSS2PRSS3F2TMPRSS6
SCHEMBL1438380 0.73 MAPT (0.56) PRSS1PRSS2PRSS3F2TMPRSS6

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 471 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3778577-B1 NOVEL COMPOUND EXHIBITING ENTEROPEPTIDASE INHIBITORY ACTIVITY LG CHEMICAL LTD (KR) 2023-08-30 EP claimed
CN-105189607-B Amine-functional polyamides 建新公司 2018-06-15 CN claimed
CN-107250189-A Crosslinking polydiene propylamine copolymer for treating diabetes B 建新公司 2017-10-13 CN claimed
CN-106687504-A Main chain type polyamines 建新公司 2017-05-17 CN claimed
CN-105189607-A Amine-functional polyamides GENZYME CORP 2015-12-23 CN claimed
CN-105188718-A Chelants for advanced glycation end product (AGE) precursors GENZYME CORP 2015-12-23 CN claimed
EP-1797096-B1 PYRAZOLOPYRIMIDINES AS INHIBITORS OF PROTEIN KINASE B (AKT) BAYER SCHERING PHARMA AG (DE) 2011-07-27 EP claimed
CN-101027315-B Method for the synthesis and selective biocatalytic modification of peptides, peptide mimetics and proteins HOFFMANN LA ROCHE 2011-05-25 CN claimed
CN-101990547-A Il-23 receptor antagonists and uses thereof VALORISATION HSJ SOC EN COMMAN 2011-03-23 CN claimed
EP-1534734-B1 METHOD FOR THE SYNTHESIS AND SELECTIVE BIOCATALYTIC MODIFICATION OF PEPTIDES, PEPTIDE MIMETICS AND PROTEINS ROCHE DIAGNOSTICS GMBH (DE) 2008-05-07 EP claimed
EP-0024781-B1 MEDICATED INTRAUTERINE DEVICES Shaw, Seth Thomas, Jr. (US) 1984-08-08 EP claimed
US-4342869-A Cephalosporin antibiotics MERCK & CO., INC. (US) 1982-08-03 US claimed
US-4342757-A Cephalosporin antibiotic compositions MERCK & CO., INC. (US) 1982-08-03 US claimed
US-4338437-A Cephalosporin antibiotics MERCK & CO., INC. (US) 1982-07-06 US claimed
US-4338438-A Cephalosporin antibiotics MERCK & CO., INC. (US) 1982-07-06 US claimed
US-4310459-A Process for producing carbamoyl substituted penams and carbamoyl substituted cephams from penicillin sulfoxide esters BRISTOL-MYERS COMPANY (US) 1982-01-12 US claimed
US-4298741-A DETHIAPENICILLIN ANTIBIOTICS MERCK & CO., INC. (US) 1981-11-03 US claimed
US-4297488-A 7-α-Methoxy cephalosporins MERCK & CO., INC. (US) 1981-10-27 US claimed
US-4258040-A Cephalosporin compounds MERCK & CO., INC. (US) 1981-03-24 US claimed
US-4060687-A Cephalosporins having a 3-α substituted alkyl grouping MERCK & CO., INC. (US) 1977-11-29 US claimed