SCHEMBL6808470

SCHEMBL6808470

O=C=NCCCCc1cccc(CCCCN=C=O)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MIF P14174 5/20 0.50
NAAA Q02083 4/20 0.49
NOS1 P29475 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
MGLL Q99685 1/20 0.36
IGF1R P08069 1/20 0.35
ALOX15 P16050 1/20 0.35
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35

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
SCHEMBL9752705 0.94 MIF (0.48) MIFNAAANOS1MEN1KMT2A
SCHEMBL8446895 0.92 MIF (0.46) MIFNAAANOS1MEN1KMT2A
SCHEMBL425325 0.86 MIF (0.67) MIFNAAAHTR3A
SCHEMBL6804290 0.86 MIF (0.50) MIFNAAANOS1MEN1KMT2A
SCHEMBL11240241 0.85 NAAA (0.68) MIFNAAAHTR3A
SCHEMBL4332687 0.85 NAAA (0.68) MIFNAAAHTR3A
SCHEMBL1006435 0.85 NAAA (0.68) MIFNAAAHTR3A
SCHEMBL380832 0.85 NAAA (0.68) MIFNAAAHTR3A
SCHEMBL21248287 0.84 HTR3E (0.51) MIFHTR3EHTR3BHTR3AHTR3D
SCHEMBL331162 0.84 MIF (0.52) MIFNAAA

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-8848288-B2 Composite optical articles PPG INDUSTRIES OHIO, INC. (US) 2014-09-30 US disclosed
US-20120224139-A1 COMPOSITE OPTICAL ARTICLES PPG INDUSTRIES OHIO, INC. (US) 2012-09-06 US disclosed
US-6733887-B2 Photochromic coated high impact resistant articles PPG INDUSTRIES OHIO, INC. 2004-05-11 US disclosed
US-6531076-B2 Poly(urea-urethane) copolymers; impact strength PPG INDUSTRIES OHIO, INC. 2003-03-11 US disclosed
US-20030044620-A1 Non-elastomeric poly(urea-urethane) substrate having free isocyanato surface groups and at least a partial coating of a photochromic polymeric coating; lenses PPG INDUSTRIES OHIO, INC. 2003-03-06 US disclosed
US-20010050356-A1 Photochromic organic resin composition TRANSITIONS OPTICAL LIMITED (IE) 2001-12-13 US disclosed