SCHEMBL3632175

SCHEMBL3632175

N#CNC(=N)c1cc(F)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.46
CES1 P23141 3/20 0.46
CA3 P07451 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
CRHBP P24387 2/20 0.33
CRHR2 Q13324 2/20 0.33
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
KEAP1 Q14145 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL642419 0.77 CES2 (0.52) CES2CES1CA3CA6CA5A
SCHEMBL84165 0.76 CES2 (0.50) CES2CES1CA3CA6CA5A
SCHEMBL4685495 0.72 SMN1; SMN2 (0.39) CA3CA6CA5ACA9CA14
SCHEMBL5727800 0.69 CES2 (0.56) CES2CES1CA3CA6CA5A
SCHEMBL10040532 0.69 CES2 (0.56) CES2CES1CA3CA6CA5A
SCHEMBL4426660 0.69 CES2 (0.56) CES2CES1CA3CA6CA5A
SCHEMBL27673772 0.68 CES2 (0.74) CES2CES1CA3CA6CA5A
Hydrochloric Acid SCHEMBL1367092 0.67 CES2 (0.54) CES2CES1CA3CA6CA5A
SCHEMBL3680333 0.66 CES2 (0.47) CES2CES1CA3CA6CA5A
SCHEMBL3680330 0.66 CES2 (0.47) CES2CES1CA3CA6CA5A

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-2142522-A1 1, 3-THIAZOL-2 (3H) -YLIDENE COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2010-01-13 EP claimed
WO-2008121558-A1 1, 3-THIAZOL-2 (3H) -YLIDENE COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2008-10-09 WO claimed