SCHEMBL6298769

SCHEMBL6298769

CC(c1ccccc1)C(N=C=O)N=C=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.44
TAAR1 Q96RJ0 2/20 0.34
TSHR P16473 1/20 0.34
MME P08473 4/20 0.34
ADRA2A P08913 1/20 0.33
ADRA2C P18825 1/20 0.33
CYP2D6 P10635 1/20 0.33
NOS2 P35228 1/20 0.33
LMNA P02545 1/20 0.33
HIF1A Q16665 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CACNA2D1 P54289 1/20 0.33
CACNB2 Q08289 1/20 0.33
CACNA1C Q13936 1/20 0.33
ALOX5 P09917 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
SCHEMBL13538605 0.83 MIF (0.44) MIFTAAR1MMEADRA2AADRA2C
SCHEMBL7980 0.78 MIF (0.63) MIFTAAR1TSHRADRA2AADRA2C
SCHEMBL211770 0.78 MIF (0.63) MIFTAAR1TSHRADRA2AADRA2C
SCHEMBL2289039 0.78 MIF (0.38) MIFTSHRCYP2D6LMNA
SCHEMBL28420246 0.78 MIF (0.38) MIFTSHRCYP2D6LMNA
SCHEMBL6583 0.78 MIF (0.63) MIFTAAR1TSHRADRA2AADRA2C
SCHEMBL669496 0.77 CYP2D6 (0.41) MIFMMECYP2D6LMNAHIF1A
SCHEMBL3856003 0.75 MIF (0.44) MIFTAAR1ADRA2AADRA2CCYP2D6
SCHEMBL23070416 0.73 MIF (0.57) MIFTAAR1TSHRADRA2AADRA2C
SCHEMBL27902285 0.73 MIF (0.57) MIFTSHRADRA2AADRA2CCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6939661-B2 Blocked isocyanate compound-containing composition for forming a radiation absorbing coating and anti-reflective coating formed therefrom CLARIANT FINANCE (BVI) LIMITED (VG) 2005-09-06 US disclosed
US-20030027078-A1 Blocked isocyanate compound-containing composition for forming a radiation absorbing coating and anti-reflective coating formed therefrom MERCK PATENT GMBH (DE) 2003-02-06 US disclosed
US-6465148-B1 COMPRISES A RADIATION ABSORBING MATERIAL AND A COMPOUND HAVING TWO OR MORE BLOCKED ISOCYANATE GROUPS CLARIANT FINANCE (BVI) LIMITED (BV) 2002-10-15 US disclosed
EP-1035147-A1 COMPOSITION FOR LIGHT ABSORPTION FILM FORMATION CONTAINING BLOCKED ISOCYANATE COMPOUND AND ANTIREFLECTION FILM FORMED THEREFROM Clariant International Ltd. (CH) 2000-09-13 EP disclosed