SCHEMBL800487

SCHEMBL800487

C(=Nc1ccccc1)=Nc1cccc(N=C=Nc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.50
ALDH1A1 P00352 1/20 0.41
NOS1 P29475 3/20 0.36
HTR3E A5X5Y0 1/20 0.33
SLC22A2 O15244 1/20 0.33
SLC22A1 O15245 1/20 0.33
SLC22A3 O75751 1/20 0.33
HTR3B O95264 1/20 0.33
PLAU P00749 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
TRPA1 O75762 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
MAPT P10636 3/20 0.32
NOS3 P29474 2/20 0.32
RAB9A P51151 2/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL156948 0.89 MIF (0.60) MIFALDH1A1NOS1HTR3ESLC22A2
Carbimide SCHEMBL28053096 0.81 MIF (0.52) MIFALDH1A1NOS1HTR3ESLC22A2
SCHEMBL19420675 0.78 MIF (0.55) MIFALDH1A1NOS1HTR3ESLC22A2
SCHEMBL17699245 0.77 MIF (0.48) MIFALDH1A1NOS1HTR3ESLC22A2
SCHEMBL11588876 0.77 CYP3A4 (0.48) MIFALDH1A1NOS1HTR3ESLC22A2
SCHEMBL18563045 0.77 CYP3A4 (0.54) MIFALDH1A1NOS1TRPA1MAPT
SCHEMBL18563044 0.77 CYP3A4 (0.56) MIFALDH1A1TRPA1MEN1KMT2A
SCHEMBL12589479 0.77 CYP3A4 (0.56) MIFALDH1A1TRPA1MEN1KMT2A
SCHEMBL6275073 0.75 HTR3E (0.52) ALDH1A1HTR3EHTR3BHTR3AHTR3D
SCHEMBL11601314 0.75 MIF (0.46) MIFALDH1A1HTR3ESLC22A2SLC22A1

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
US-20170190873-A1 METHOD FOR STABILIZING POLYESTER-RESIN-BASED BIOPLASTICS RHEIN CHEMIE RHEINAU GMBH (DE) 2017-07-06 US disclosed
US-8772387-B2 Dispersion adhesives, a process for preparing them and use thereof RHEIN CHEMIE RHEINAU GMBH (DE) 2014-07-08 US disclosed
US-8765260-B2 Bonding agents based on carbodiimides, aqueous resorcinol-formaldehyde-latex dispersions comprising bonding agent, adhesion-improved fibres, processes for production thereof and use thereof RHEIN CHEMIE RHEINAU GMBH (DE) 2014-07-01 US disclosed
US-8481619-B2 Aqueous resorcinol-formaldehyde-latex dispersions, adhesion-improved fibres, processes for production thereof and use thereof RHEIN CHEMIE RHEINAU GMBH (US) 2013-07-09 US disclosed
US-20120123052-A1 New dispersion adhesives, a process for preparing them and use thereof RHEIN CHEMIE RHEINAU GMBH (DE) 2012-05-17 US disclosed
US-20120071595-A1 Novel aqueous resorcinol-formaldehyde-latex dispersions, adhesion-improved fibres, processes for production thereof and use thereof RHEIN CHEMIE RHEINAU GMBH (DE) 2012-03-22 US disclosed