SCHEMBL9174261

SCHEMBL9174261

CN(CC#N)c1ccc(C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.43
ALDH1A1 P00352 3/20 0.43
LOXL2 Q9Y4K0 2/20 0.41
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
SLC6A4 P31645 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
PGR P06401 2/20 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
SCHEMBL13618783 0.83 CYP2A6 (0.46) CYP2A6ALDH1A1LOXL2CA12CA2
SCHEMBL4299065 0.81 CYP2A6 (0.50) CYP2A6ALDH1A1LOXL2CA12CA2
SCHEMBL6675221 0.81 GLA (0.47) CYP2A6ALDH1A1LMNATSHRKMT2A
SCHEMBL6671505 0.79 PYCR1 (0.39) CYP2A6ALDH1A1KDM4ELMNATSHR
SCHEMBL5148459 0.79 APP (0.39) ALDH1A1KDM4EGAASLC6A4
SCHEMBL304704 0.78 MAOB (0.47) ALDH1A1CA12CA2CA9LMNA
SCHEMBL12806211 0.78 HRH3 (0.44) CYP2A6ALDH1A1LOXL2CA12CA2
SCHEMBL6572215 0.78 ALDH1A1 (0.40) ALDH1A1KDM4ELMNAGAATSHR
SCHEMBL12733256 0.78 CYP2A6 (0.47) CYP2A6ALDH1A1LOXL2CA12CA2
SCHEMBL6553719 0.77 MAOB (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0473140-B1 Method of forming thin film on fiber end surface SUMITOMO ELECTRIC INDUSTRIES (JP) 1995-11-15 EP claimed
US-5192579-A METHOD OF FORMING THIN FILM ON FIBER END SURFACE BY BREAKING IT IN A VACUUM SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1993-03-09 US claimed
EP-0473140-A2 Method of forming thin film on fiber end surface SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1992-03-04 EP claimed
JP-7159818-A None JP disclosed
EP-0473140-B1 Method of forming thin film on fiber end surface SUMITOMO ELECTRIC INDUSTRIES (JP) 1995-11-15 EP disclosed
EP-0424689-B1 Fiber-type wavelenghth converting device SUMITOMO ELECTRIC INDUSTRIES (JP) 1995-09-13 EP disclosed
JP-H07159818-A MOLECULAR CRYSTAL AND LIGHT CONTROLLING METHOD USING THE SAME SUMITOMO ELECTRIC IND LTD 1995-06-23 JP disclosed
US-5385116-A Method for producing organic crystal film SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1995-01-31 US disclosed
US-5323261-A Harmonic generating device SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1994-06-21 US disclosed
EP-0562587-A1 Method for producing organic crystal film SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1993-09-29 EP disclosed
US-5192579-A METHOD OF FORMING THIN FILM ON FIBER END SURFACE BY BREAKING IT IN A VACUUM SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1993-03-09 US disclosed
EP-0473140-A2 Method of forming thin film on fiber end surface SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1992-03-04 EP disclosed
US-5022738-A Optical fiber nonlinear wavelength modulator device SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1991-06-11 US disclosed
EP-0424689-A2 Fiber-type wavelenghth converting device SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1991-05-02 EP disclosed
EP-0420156-A1 Wavelength modulator device SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1991-04-03 EP disclosed