SCHEMBL5447490

SCHEMBL5447490

Cc1cccc(C(Cl)(Cl)Cl)c1.ClC(Cl)(Cl)c1ncncn1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.35
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
TSHR P16473 2/20 0.33
KIF11 P52732 2/20 0.33
CYP2C9 P11712 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP1A2 P05177 1/20 0.33
GRM5 P41594 1/20 0.33
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
IMPDH2 P12268 1/20 0.30

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
SCHEMBL1538526 0.82 ACHE (0.52) ACHECYP3A4CYP2D6CYP2C19TSHR
SCHEMBL2464063 0.81 CYP19A1 (0.42) CYP3A4CYP2C19TSHRKIF11CYP2C9
SCHEMBL3265568 0.80 TSHR (0.39) TSHRKIF11ALDH1A1MAPK1
SCHEMBL2865073 0.80 CLK4 (0.38) ACHECYP3A4CYP2D6CYP2C19TSHR
SCHEMBL607283 0.78 TSHR (0.58) ACHECYP3A4CYP2D6CYP2C19TSHR
SCHEMBL2454679 0.76 GRM5 (0.40) CYP3A4CYP2D6CYP2C19TSHRKIF11
SCHEMBL3208807 0.73 PTPN1 (0.37) CYP3A4CYP2D6TSHRKCNH2CYP1A2
SCHEMBL251722 0.73 HSP90AA1 (0.38)
SCHEMBL27830398 0.71 HSP90AA1 (0.36)
M-Xylene SCHEMBL29242626 0.70 TSHR (0.64) ACHECYP3A4CYP2D6CYP2C19TSHR

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
EP-1755002-B1 Manufacturing method of lithographic printing plates FUJIFILM CORP (JP) 2016-05-04 EP disclosed
US-7288345-B2 Photosensitive colored composition and color filter TOYO INK MFG. CO., LTD. (JP) 2007-10-30 US disclosed
US-20060222969-A1 Photosensitive colored composition and color filter TOYO INK MFG. CO., LTD. (JP) 2006-10-05 US disclosed