SCHEMBL4960106

SCHEMBL4960106

N=C(N)N[CH]c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
F12 P00748 1/20 0.41
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
PKM P14618 1/20 0.41
BLM P54132 1/20 0.39
IDO1 P14902 3/20 0.39
NOS1 P29475 3/20 0.39
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
C1S P09871 1/20 0.38
PRSS3 P35030 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
GRIN1 Q05586 5/20 0.38
GRIN2B Q13224 5/20 0.38
GRIN2D O15399 3/20 0.38

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
SCHEMBL10997564 0.81 HTT (0.40) F2F10F12F7F3
SCHEMBL5685149 0.78 NPC1 (0.53) KMT2AGRIN1GRIN2BGRIN2DGRIN3B
SCHEMBL5685153 0.78 NPC1 (0.53) KMT2AGRIN1GRIN2BGRIN2DGRIN3B
SCHEMBL5892379 0.77 HTT (0.43) F3BLMRECQLKMT2AHTT
SCHEMBL5892406 0.77 HTT (0.47) KMT2AHTT
SCHEMBL5754950 0.77 ALDH1A1 (0.39) RECQL
SCHEMBL6700723 0.74 IDO1 (0.45) F2F10F12F7F3
SCHEMBL3826924 0.71 NPC1 (0.45) F3RECQLKMT2A
Hydrochloric Acid SCHEMBL27730029 0.70 NPC1 (0.44) F3RECQLKMT2A
SCHEMBL7521191 0.70 NOS1 (0.47) IDO1NOS1NOS3NOS2GRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0941122-B1 COMPOSITIONS FOR POLYNUCLEOTIDE DELIVERY CHIRON CORP (US) 2003-10-29 EP claimed
EP-1194428-B1 HETEROARYL PROTEASE INHIBITORS AND DIAGNOSTIC IMAGING AGENTS DIMENSIONAL PHARM INC (US) 2003-09-17 EP claimed
EP-0615978-B1 Peptide derivatives of the boronic acid having protease inhibiting activity, process for their production and pharmaceutical compositions comprising them ADIR (FR) 1999-05-12 EP 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
US-4705788-A Novel antibacterial 7-amino-1(substituted cyclopropyl)-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1987-11-10 US claimed
US-4342869-A Cephalosporin antibiotics 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-4297488-A 7-α-Methoxy cephalosporins MERCK & CO., INC. (US) 1981-10-27 US claimed
US-3987040-A 3-SUBSTITUTED METHYL-7-ACYLAMINO-7-METHOXY-2-CEPHEM-4-CARBOXYLIC ACID AND ITS ESTERS MERCK & CO., INC. (US) 1976-10-19 US claimed
US-7462592-B2 Compositions and methods for polynucleotide delivery NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-12-09 US disclosed
US-6191273-B1 3,6,10,14-SUBSTITUTED-3,6,10,16-TETRAAZABICYCLO(10.3.1)-HEXADE CA-1(16),12,14-TRIENE COMPOUNDS OF GIVEN FORMULA; ANTIBACTERIAL AND OTHER UTILITIES, SUCH AS TO SCREEN FOR PESTICIDES OR DRUGS ISIS PHARMACEUTICALS, INC. 2001-02-20 US disclosed
EP-0615978-B1 Peptide derivatives of the boronic acid having protease inhibiting activity, process for their production and pharmaceutical compositions comprising them ADIR (FR) 1999-05-12 EP disclosed
WO-1999011612-A2 SUBSTITUTED CYCLIC COMPOUNDS AND MIXTURES COMPRISING SAME ISIS PHARMACEUTICALS, INC. (US) 1999-03-11 WO disclosed
US-4060687-A Cephalosporins having a 3-α substituted alkyl grouping MERCK & CO., INC. (US) 1977-11-29 US disclosed
US-4035359-A 6α, β-Substituted penicillin derivatives MERCK & CO., INC. (US) 1977-07-12 US disclosed
US-4032521-A ANTIBIOTICS MERCK & CO., INC. (US) 1977-06-28 US disclosed
US-3987040-A 3-SUBSTITUTED METHYL-7-ACYLAMINO-7-METHOXY-2-CEPHEM-4-CARBOXYLIC ACID AND ITS ESTERS MERCK & CO., INC. (US) 1976-10-19 US disclosed
US-3947413-A ANTIBIOTICS MERCK & CO., INC. (US) 1976-03-30 US disclosed