SCHEMBL8664211

SCHEMBL8664211

C1=Cc2ccccc21.N=C=O.N=C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
IDO1 P14902 2/20 0.44
LMNA P02545 2/20 0.44
CES1 P23141 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
BCHE P06276 1/20 0.44
POLB P06746 1/20 0.44
PTPRC P08575 1/20 0.44
THRB P10828 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
PTPN1 P18031 1/20 0.44
ACHE P22303 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PTPN22 Q9Y2R2 1/20 0.44

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
SCHEMBL5139068 1.00 MAPT (0.44) MAPTIDO1LMNACES1KDM4E
SCHEMBL28367808 0.81 MAPT (0.39) MAPTIDO1LMNACES1KDM4E
SCHEMBL33554 0.79
SCHEMBL29375766 0.79 MAPT (0.53) MAPTIDO1LMNACES1KDM4E
SCHEMBL3767165 0.79 MAPT (0.53) MAPTIDO1LMNACES1KDM4E
SCHEMBL29418986 0.79 MAPT (0.53) MAPTIDO1LMNACES1KDM4E
SCHEMBL29398195 0.79
SCHEMBL29120205 0.76 MAPT (0.45) MAPTIDO1LMNACES1KDM4E
SCHEMBL29120222 0.76 MAPT (0.45) MAPTIDO1LMNACES1KDM4E
Water SCHEMBL10406928 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5770763-A POLYARYLCYCLOBUTENES DERIVED FROM 3,6 FUNCTIONALIZED MONO AND DICYCLOBUTABENZENE THE BOARD OF REGENTS OF THE UNIV. OF MICHIGAN (US) 1998-06-23 US disclosed
US-5552508-A Difunctional bitricyclodecatriene monomers UNIVERSITY OF MICHIGAN, THE BOARD OF REGENTS (US) 1996-09-03 US disclosed
US-5418312-A Polymer properties THE BOARD OF REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1995-05-23 US disclosed
US-5334752-A Difunctionalized to be incorporated into polymers for compressive strength THE BOARD OF REGENTS ACTING FOR AND ON BEHALF OF UNIVERSITY OF MICHIGAN (US) 1994-08-02 US disclosed
WO-1994001388-A1 CYCLOBUTABENZENE MONOMERS AND METHODS OF MAKING AND USING SAME UNIVERSITY OF MICHIGAN (US) 1994-01-20 WO disclosed