SCHEMBL4172916

SCHEMBL4172916

Cn1c(=O)c2[nH]c(C#N)nc2n(C)c1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
HSD17B10 Q99714 3/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP3A4 P08684 2/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
ADORA2A P29274 3/20 0.51
ADORA2B P29275 3/20 0.51
CYP1A2 P05177 2/20 0.51
ADORA3 P0DMS8 2/20 0.51
MAPK1 P28482 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ADORA1 P30542 1/20 0.51
BLM P54132 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
LMNA P02545 1/20 0.51
NFKB1 P19838 1/20 0.51
PMP22 Q01453 1/20 0.51

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
SCHEMBL9904096 0.85 POLB (0.53) POLBHSD17B10ALDH1A1CYP3A4CASP1
SCHEMBL3177066 0.79 PDE4A (0.54) ADORA2A
Water SCHEMBL28799658 0.79 PDE2A (0.60) POLBHSD17B10ALDH1A1CYP3A4CASP1
SCHEMBL3175450 0.78 PDE4A (0.50) ADORA2A
SCHEMBL461786 0.77 PDE2A (0.62) POLBHSD17B10ALDH1A1CYP3A4CASP1
SCHEMBL11218297 0.75 POLB (0.50) POLBHSD17B10ALDH1A1CYP3A4CASP1
Water SCHEMBL7315528 0.75 ADORA2B (0.70) HSD17B10ALDH1A1ADORA2AADORA2BCYP1A2
SCHEMBL7325359 0.75 ADORA2B (0.70) HSD17B10ALDH1A1ADORA2AADORA2BCYP1A2
SCHEMBL3194191 0.75 ADORA2A (0.59) POLBHSD17B10ALDH1A1CYP3A4CASP1
SCHEMBL1400610 0.75 ADORA2B (0.57) POLBHSD17B10ALDH1A1CYP3A4CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1491591-B1 New fluorescence cyanine labels containing a sulfamido linker arm VISEN MEDICAL INC (US) 2009-07-01 EP disclosed
EP-1065250-B1 New fluorescent cyanine labels containing a sulfamido linker arm VISEN MEDICAL INC (US) 2004-12-08 EP disclosed
US-6448008-B1 IMMUNOLOGICAL BINDING REAGENT LABELLED WITH A FLUORESCENT COMPOUND AND METHOD OF ASSAYING AN ANALYTE IN A SAMPLE COMPRISING CONTACTING A NUCLEIC ACID PROBE OR AN IMMUNOLOGICALLY BINDING REAGENT LABELLED WITH A FLUORESCENT INNOSENSE, S.R.L. (IT) 2002-09-10 US disclosed
EP-1173433-A1 CYANOPYRROLES AS PROGESTERONE RECEPTOR AGONISTS American Home Products Corporation (US) 2002-01-23 EP disclosed
EP-1065250-A1 New fluorescent cyanine labels containing a sulfamido linker arm Innosense S.r.l. (IT) 2001-01-03 EP disclosed
WO-2000066581-A1 CYANOPYRROLES AS PROGESTERONE RECEPTOR AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 WO disclosed