SCHEMBL3669301

SCHEMBL3669301

CC(N)(N)c1ccccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.56
TSHR P16473 4/20 0.43
LMNA P02545 2/20 0.43
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
OPRK1 P41145 2/20 0.37
KCNH2 Q12809 2/20 0.37
ADRA1A P35348 1/20 0.37
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
PNMT P11086 1/20 0.36
SLC6A2 P23975 2/20 0.34
TAAR1 Q96RJ0 2/20 0.34
KCNA3 P22001 2/20 0.34
CYP19A1 P11511 3/20 0.33
HSD11B1 P28845 2/20 0.33
ADRB2 P07550 2/20 0.33
ADRB1 P08588 2/20 0.33
CYP2D6 P10635 2/20 0.33
NFKB1 P19838 2/20 0.33

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
SCHEMBL1431670 0.85 KCNN4 (0.56) KCNN4TSHRLMNAHTR2AHTR2C
SCHEMBL31521320 0.85 KCNN4 (0.56) KCNN4TSHRLMNAHTR2AHTR2C
Hydrochloric Acid SCHEMBL23886201 0.83 KCNN4 (0.54) KCNN4TSHRLMNAHTR2AHTR2C
Hydrochloric Acid SCHEMBL29857899 0.83 KCNN4 (0.54) KCNN4TSHRLMNAHTR2AHTR2C
SCHEMBL6912370 0.83 KCNN4 (0.54) KCNN4TSHRLMNAHTR2AHTR2C
SCHEMBL2562930 0.81 KCNN4 (0.52) KCNN4TSHRLMNAHTR2AHTR2C
SCHEMBL28794219 0.81 KCNN4 (0.52) KCNN4TSHRLMNAHTR2AHTR2C
SCHEMBL15228185 0.81 KCNN4 (0.52) KCNN4TSHRLMNAHTR2AHTR2C
SCHEMBL7571745 0.79 KCNN4 (0.48) KCNN4TSHRLMNAHTR2AHTR2C
SCHEMBL78489 0.79 TSHR (0.50) KCNN4TSHRLMNAHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1426392-B1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2010-02-24 EP disclosed
US-6960640-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20040147708-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-07-29 US disclosed
EP-1426392-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-09 EP disclosed