SCHEMBL6563323

SCHEMBL6563323

C#CCNc1ccc(C(=N)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
ADAM17 P78536 1/20 0.36
PTPN11 Q06124 1/20 0.36
CYP17A1 P05093 2/20 0.35
NAMPT P43490 1/20 0.35
PPARG P37231 6/20 0.35
PPARA Q07869 6/20 0.35
PPARD Q03181 2/20 0.35
PRMT1 Q99873 1/20 0.34
CTSS P25774 1/20 0.33
CTSK P43235 1/20 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
SCHEMBL433863 0.80 ELANE (0.44) MAPTCA1CA2CA12CA9
SCHEMBL25870990 0.80 CYP17A1 (0.50) MAPTCA1CA2CA12CA9
SCHEMBL6563283 0.77 PTPN11 (0.46) MAPTPTPN11CYP17A1
SCHEMBL15149335 0.77 MIF (0.48) MAPTCA1CA2CA12CA9
SCHEMBL617014 0.77 MAPT (0.52) MAPTCA1CA2NFKB1NFKB2
SCHEMBL27523391 0.77 PRMT1 (0.45) MAPTCYP17A1NAMPTPRMT1
SCHEMBL6565309 0.77 PTPN11 (0.34) CA1CA12CA9PTPN11
SCHEMBL32687527 0.76 RAB9A (0.49) MAPTNFKB1NFKB2RELACTSS
SCHEMBL7438712 0.76 ADRB2 (0.40) MAPTNFKB1NFKB2RELAPPARG
SCHEMBL7422422 0.76 NFKB1 (0.39) MAPTCA1CA2NFKB1NFKB2

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-1140802-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2004-03-17 EP disclosed
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed