SCHEMBL2137887

SCHEMBL2137887

CNC(NC)c1cccc(C(NC)NC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 3/20 0.39
PGK2 P07205 3/20 0.39
HTR2A P28223 3/20 0.38
ADRA1A P35348 2/20 0.38
TSHR P16473 2/20 0.38
ADRA2C P18825 2/20 0.38
NFKB1 P19838 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
CHRM2 P08172 1/20 0.38
RGS12 O14924 1/20 0.38
GLA P06280 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
THPO P40225 1/20 0.38
GNAI1 P63096 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL16191558 0.85 ACHE (0.48) CYP3A4CYP2C19CYP2D6CYP2C9ALDH1A1
SCHEMBL1485841 0.80 HTR2A (0.50) HTR2AADRA1ATSHRADRA2CNFKB1
SCHEMBL19176016 0.70 HDAC4 (0.44) HTR2AADRA1ATSHRADRA2CNFKB1
SCHEMBL19054795 0.67 DPP4 (0.41) HTR2AADRA1ATSHRADRA2CNFKB1
SCHEMBL374780 0.67 HDAC4 (0.56) TSHRCYP3A4ALOX15ALOX12HIF1A
SCHEMBL12235347 0.65 ACHE (0.48) CYP3A4CYP2C19CYP2D6CYP2C9GAA
SCHEMBL12235345 0.65 ACHE (0.48) CYP3A4CYP2C19CYP2D6CYP2C9GAA
Water SCHEMBL9322811 0.65 HDAC4 (0.54) TSHRCYP3A4ALOX15ALOX12HIF1A
SCHEMBL19031518 0.65 KDM4E (0.54) TSHRCYP3A4ALOX15ALOX12HIF1A
SCHEMBL11036540 0.65 HDAC4 (0.54) TSHRCYP3A4ALOX15ALOX12HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8226203-B2 Tape for liquid discharge head and liquid discharge head CANON KABUSHIKI KAISHA (JP) 2012-07-24 US disclosed
US-7994250-B2 Vinyl-urethane copolymers with intermediary linkage segments having silicon-oxygen bonds and production methods thereof KONISHI CO., LTD. (JP) 2011-08-09 US disclosed
US-7863374-B2 Self-curable water-based solid adhesive and bonding method using the self-curable water-based solid adhesive KONISHI CO., LTD. (JP) 2011-01-04 US disclosed
US-20090142592-A1 TAPE FOR LIQUID DISCHARGE HEAD AND LIQUID DISCHARGE HEAD CANON KABUSHIKI KAISHA (JP) 2009-06-04 US disclosed
US-20080119607-A1 Self-curable water-based solid adhesive and bonding method using the self-curable water-based solid adhesive SHIBAHARA SYUNSUKE 2008-05-22 US disclosed
EP-1837360-A1 VINYL-URETHANE COPOLYMER AND METHOD FOR PRODUCING SAME Konishi Co., Ltd. (JP) 2007-09-26 EP disclosed
US-20070117902-A1 Vinyl-urethane copolymers and production methods thereof KONISHI CO., LTD. (JP) 2007-05-24 US disclosed
US-20060183845-A1 Aqueous silylated urethane compositions, aqueous adhesives for wrapping, and aqueous contact adhesives KONISHI CO., LTD. (JP) 2006-08-17 US disclosed
US-7084203-B2 Self-reactive/curable water-based solid adhesive and method of bonding with the self-reactive/curable water-based solid adhesive KONISHI CO., LTD. (JP) 2006-08-01 US disclosed
EP-1607423-A1 AQUEOUS SILYLATED URETHANE COMPOSITION, AQUEOUS ADHESIVES FOR WRAPPING, AND AQUEOUS CONTACT ADHESIVES Konishi Co., Ltd. (JP) 2005-12-21 EP disclosed
US-20040132864-A1 Self-reactive/curable water-based solid adhesive and method of bonding with the self-reactive/curable water-based solid adhesive KONISHI CO., LTD. (JP) 2004-07-08 US disclosed
EP-1431366-A1 SELF−REACTIVE/CURABLE WATER−BASED SOLID ADHESIVE AND METHOD OF BONDING WITH THE SELF−REACTIVE/CURABLE WATER−BASED SOLID ADHESIVE KONISHI CO., LTD. (JP) 2004-06-23 EP disclosed