SCHEMBL5778968

SCHEMBL5778968

CCC(C#N)(CC)c1cccc(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA5A P35218 1/20 0.41
CA9 Q16790 1/20 0.41
KIF11 P52732 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
ATM Q13315 1/20 0.35
PYCR1 P32322 1/20 0.35
RIPK1 Q13546 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TAAR1 Q96RJ0 3/20 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
SCHEMBL30967865 0.81 CASP1 (0.37) CA1CA2CA5ACA9KIF11
SCHEMBL2676584 0.81 PRKCQ (0.44) CA1CA2CA5ACA9KIF11
SCHEMBL9079288 0.79 ALDH1A1 (0.42) CA2CA5ACA9KIF11ALDH1A1
SCHEMBL6618962 0.79 TSHR (0.50) CA1CA2CA9KIF11ALDH1A1
SCHEMBL1141384 0.77 CA1 (0.34) CA1CA2CA5ACA9ALDH1A1
SCHEMBL31634484 0.77 EGFR (0.38) ALDH1A1MAPK1MEN1KMT2AHSD17B10
SCHEMBL13271382 0.77 CYP2D6 (0.44) ALDH1A1ATMTAAR1LMNA
SCHEMBL20707128 0.77 ALDH1A1 (0.44) CA1CA2CA5ACA9KIF11
SCHEMBL9079230 0.76 KIF11 (0.42) CA1CA2CA9KIF11ALDH1A1
SCHEMBL24027816 0.76 CA1 (0.49) CA1CA2CA5ACA9KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1276722-B1 NAPHTHAMIDINE UROKINASE INHIBITORS ABBOTT LAB (US) 2006-03-08 EP disclosed
EP-1276722-A1 NAPHTHAMIDINE UROKINASE INHIBITORS Abbott Laboratories (US) 2003-01-22 EP disclosed
US-6504031-B1 Enzyme inhibitor such as 6-(2-(1-isopropyl-1,2,3,4-tetrahydro -7-isoquinolinyl)ethenyl)-2-naphthalenecarboximidamide, used as angiogenesis inhibitors; antiarthritic, antiinflammatory and antitumor agents ABBOTT LABORATORIES 2003-01-07 US disclosed
US-6495562-B1 SUCH AS 6-(2-(4,4-DIETHYL-1-ISOPROPYL-3,4-DIHYDRO-6-ISOQUINOLINYL)CYCLOPROPYL)-2 -NAPHTHALENECARBOXIMIDAMIDE ABBOTT LABORATORIES 2002-12-17 US disclosed
WO-2001081314-A1 NAPHTHAMIDINE UROKINASE INHIBITORS ABBOTT LABORATORIES (US) 2001-11-01 WO disclosed