SCHEMBL3988998

SCHEMBL3988998

[CH2]COC(Cl)(Cl)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
KIF11 P52732 2/20 0.38
CYP1A2 P05177 2/20 0.37
MAPK1 P28482 1/20 0.34
KCNN4 O15554 4/20 0.33
ALDH1A1 P00352 3/20 0.33
TAAR1 Q96RJ0 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CHRM2 P08172 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
SCHEMBL5735020 0.76 KIF11 (0.56) TSHRKIF11CYP1A2MAPK1KCNN4
SCHEMBL7201481 0.73 TSHR (0.50) TSHRKIF11CYP1A2MAPK1KCNN4
SCHEMBL29090083 0.73 MAPK1 (0.44) TSHRKIF11MAPK1KCNN4ALDH1A1
SCHEMBL3986290 0.73 TSHR (0.44) TSHRKIF11MAPK1KCNN4ALDH1A1
SCHEMBL11778635 0.72 CHRM2 (0.41) TSHRMAPK1KCNN4ALDH1A1TAAR1
SCHEMBL995346 0.72 TSHR (0.55) TSHRKIF11CYP1A2MAPK1KCNN4
SCHEMBL547587 0.72 TSHR (0.55) TSHRKIF11CYP1A2MAPK1KCNN4
SCHEMBL8588185 0.69 CHRM2 (0.53) TSHRCYP1A2ALDH1A1CYP2C9CYP2C19
SCHEMBL1224334 0.69 TSHR (0.50) TSHRKIF11CYP1A2MAPK1KCNN4
SCHEMBL10707751 0.69 TSHR (0.50) TSHRCYP1A2MAPK1KCNN4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061789-A2 THIADIAZOLE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2009-05-27 EP disclosed
WO-2008032858-A2 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-03-20 WO disclosed