SCHEMBL3790728

SCHEMBL3790728

Cc1ccccc1[N]C(=N)N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.46
GRIN2D O15399 4/20 0.46
GRIN3B O60391 4/20 0.46
GRIN1 Q05586 4/20 0.46
GRIN2A Q12879 4/20 0.46
GRIN2B Q13224 4/20 0.46
GRIN2C Q14957 4/20 0.46
GRIN3A Q8TCU5 4/20 0.46
TSHR P16473 3/20 0.46
MEN1 O00255 1/20 0.46
PABPC1 P11940 1/20 0.46
ALOX15 P16050 1/20 0.46
KMT2A Q03164 1/20 0.46
EBP Q15125 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
CYP2C9 P11712 1/20 0.42
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
ALDH1A1 P00352 3/20 0.38
CYP2A6 P11509 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
SCHEMBL4533236 0.78 SIGMAR1 (0.46) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7663050 0.76 ATM (0.47) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
O-Xylene SCHEMBL27502292 0.73 ACHE (0.62) TSHRKMT2AALDH1A1CYP2A6CYP3A4
SCHEMBL13324586 0.73 SIGMAR1 (0.58) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1931049 0.73 SIGMAR1 (0.58) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7435475 0.73 SIGMAR1 (0.58) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7435471 0.73 SIGMAR1 (0.58) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30084867 0.73 SIGMAR1 (0.58) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL11234837 0.71 SIGMAR1 (0.56) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1485845 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394920-B2 Composition for resin and optical lens obtained therefrom MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-03-12 US disclosed
US-20100331515-A1 COMPOSITION FOR RESIN AND OPTICAL LENS OBTAINED THEREFROM MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2010-12-30 US disclosed
EP-2243798-A1 COMPOSITION FOR RESIN AND OPTICAL LENS OBTAINED THEREFROM Mitsubishi Gas Chemical Company, Inc. (JP) 2010-10-27 EP disclosed