SCHEMBL623657

SCHEMBL623657

N=C(N)Nc1[c]cccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
TYR P14679 1/20 0.34
TSHR P16473 1/20 0.34
TAS2R38 P59533 1/20 0.34
HSD17B10 Q99714 1/20 0.34
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
F12 P00748 1/20 0.33
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
PKM P14618 1/20 0.33
BLM P54132 1/20 0.32
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
C1S P09871 1/20 0.31
PRSS3 P35030 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL8721599 0.82 MAPT (0.40) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL3128742 0.81 ALDH1A1 (0.50) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL5108178 0.79 TAS2R38 (0.30) TAS2R38HSD17B10
SCHEMBL55828 0.79 GAA (0.42) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL11465101 0.75 SMN1; SMN2 (0.32) TP53TSHRHSD17B10KMT2A
SCHEMBL7392342 0.74 PRSS1 (0.43) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL9725165 0.74 SMN1; SMN2 (0.44) ALDH1A1TP53TSHRRECQLKMT2A
SCHEMBL5482039 0.73 NPC1 (0.32) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL11072074 0.72 SMN1; SMN2 (0.33) ALDH1A1TP53TSHRHSD17B10RECQL
SCHEMBL6033544 0.72 SMN1; SMN2 (0.38) ALDH1A1TP53TSHRHSD17B10KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2568994-A2 PROTEASE CATALYZED IN SITU END CAPPING OF OLIGOPEPTIDES IN AQUEOUS MEDIA Polytechnic Institute of New York University (US) 2013-03-20 EP claimed
US-20120282652-A1 PREPARATION OF PEPTIDE MIXTURES BY PROTEASE CATALYSIS DESIGNED TO PROVIDE USEFUL BIOLOGICAL AND PHYSICAL PROPERTIES POLYTECHNIC INSTITUTE OF NEW YORK UNIVERSITY (US) 2012-11-08 US claimed
WO-2012118780-A2 PREPARATION OF PEPTIDE MIXTURES BY PROTEASE CATALYSIS DESIGNED TO PROVIDE USEFUL BIOLOGICAL AND PHYSICAL PROPERTIES POLYTECHNIC INSTITUTE OF NEW YORK UNIVERSITY (US) 2012-09-07 WO claimed
WO-2011143383-A9 PROTEASE CATALYZED IN SITU END CAPPING OF OLIGOPEPTIDES IN AQUEOUS MEDIA POLYTECHNIC INSTITUTE OF NEW YORK UNIVERSITY (US) 2012-02-16 WO claimed
US-20110287479-A1 PROTEASE CATALYZED IN SITU END CAPPING OF OLIGOPEPTIDES IN AQUEOUS MEDIA POLYTECHNIC INSTITUTE OF NEW YORK UNIVERSITY (US) 2011-11-24 US claimed
EP-0736036-A1 KININOGEN INHIBITORS FERRING B.V. (NL) 1996-10-09 EP claimed
EP-0728758-A1 Dioxopyrrolo-pyrrole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1996-08-28 EP claimed
US-5532255-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-02 US claimed
WO-1995007291-A1 KININOGEN INHIBITORS FERRING B.V. (NL) 1995-03-16 WO claimed
US-5376655-A Elastase inhibitor ONO PHARMACEUTICAL CO., LTD. (JP) 1994-12-27 US claimed
EP-0615978-A1 Peptide derivatives of the boronic acid having protease inhibiting activity, process for their production and pharmaceutical compositions comprising them ADIR ET COMPAGNIE (FR) 1994-09-21 EP claimed
EP-0222608-B1 DERIVATIVES OF P-GUANIDINOBENZOIC ACID AND PHARMACEUTICAL AGENTS CONTAINING THEM AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 1991-09-11 EP claimed
US-4975464-A ADMINISTERING DERIVATIVES OF P-GUANIDINOBENZOIC ACID IMAKI KATSUHIRO (JP) 1990-12-04 US claimed
EP-0384362-A2 Glycinderivatives F. HOFFMANN-LA ROCHE AG (CH) 1990-08-29 EP claimed
EP-0222608-A2 Derivatives of p-guanidinobenzoic acid and pharmaceutical agents containing them as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 1987-05-20 EP claimed