SCHEMBL3356661

SCHEMBL3356661

NC(N)(c1cccc(Cl)c1)c1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
KIF11 P52732 5/20 0.48
CYP19A1 P11511 2/20 0.46
PNMT P11086 2/20 0.44
TSHR P16473 1/20 0.44
TAAR1 Q96RJ0 1/20 0.41
PARP1 P09874 1/20 0.41
SCN5A Q14524 3/20 0.40
SCN9A Q15858 3/20 0.40
CYP3A4 P08684 2/20 0.40
IDO1 P14902 2/20 0.40
AGXT P21549 2/20 0.40
HTR3E A5X5Y0 1/20 0.40
SLC22A2 O15244 1/20 0.40
SLC22A1 O15245 1/20 0.40
SLC22A3 O75751 1/20 0.40
HTR3B O95264 1/20 0.40
PLAU P00749 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40

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
SCHEMBL1859294 0.83 KIF11 (0.44) ALDH1A1KIF11CYP19A1PNMTTSHR
Hydrochloric Acid SCHEMBL16321424 0.81 KIF11 (0.43) ALDH1A1KIF11CYP19A1PNMTTSHR
SCHEMBL3978179 0.80 KIF11 (0.45) ALDH1A1KIF11CYP19A1PNMTTSHR
SCHEMBL21264407 0.80 KIF11 (0.45) ALDH1A1KIF11CYP19A1PNMTTSHR
SCHEMBL6074031 0.80 CYP19A1 (0.47) ALDH1A1KIF11CYP19A1TSHRPARP1
SCHEMBL3960158 0.80 KIF11 (0.45) ALDH1A1KIF11CYP19A1PNMTTSHR
SCHEMBL9332683 0.79 CYP19A1 (0.46) ALDH1A1KIF11CYP19A1PNMTTSHR
SCHEMBL196785 0.79 TSHR (0.50) ALDH1A1KIF11CYP19A1PNMTTSHR
SCHEMBL7024331 0.79 CYP19A1 (0.46) ALDH1A1KIF11CYP19A1PNMTTSHR
SCHEMBL4463685 0.79 CYP19A1 (0.46) ALDH1A1KIF11CYP19A1PNMTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609768-B2 Hot melt adhesive composition ASAHI GLASS COMPANY, LIMITED (JP) 2013-12-17 US disclosed
EP-2479232-A1 REACTIVE HOT-MELT ADHESIVE AGENT COMPOSITION Asahi Glass Company, Limited (JP) 2012-07-25 EP disclosed
US-20120172524-A1 REACTIVE HOT-MELT ADHESIVE AGENT COMPOSITION ASAHI GLASS COMPANY, LIMITED (JP) 2012-07-05 US disclosed
EP-2471885-A1 HOT MELT ADHESIVE COMPOSITION Asahi Glass Company, Limited (JP) 2012-07-04 EP disclosed
US-20120123043-A1 HOT MELT ADHESIVE COMPOSITION ASAHI GLASS COMPANY, LIMITED (JP) 2012-05-17 US disclosed
US-20100087593-A1 RESIN COMPOSITION COMPRISING THERMOPLASTIC POLYURETHANE, AND HOT MELT ADHESIVE ASAHI GLASS COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-2154168-A1 RESIN COMPOSITION CONTAINING THERMOPLASTIC POLYURETHANE AND HOT-MELT ADHESIVE Asahi Glass Company, Limited (JP) 2010-02-17 EP disclosed
US-20060122356-A1 Polyurethane resin and process for producing the same ASAHI GLASS COMPANY, LIMITED (JP) 2006-06-08 US disclosed
EP-1650239-A1 POLYURETHANE RESINS AND PROCESS FOR PRODUCTION THEREOF ASAHI GLASS COMPANY LTD. (JP) 2006-04-26 EP disclosed