SCHEMBL6563630

SCHEMBL6563630

Cc1cc(C#CCNc2ccc(C(=N)N)cc2)ccc1C(=O)c1nccn1C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 2/20 0.37
GAA P10253 1/20 0.37
LDHA P00338 7/20 0.35
LDHB P07195 7/20 0.35
F7 P08709 2/20 0.35
F3 P13726 2/20 0.35
MYC P01106 1/20 0.35
F2 P00734 3/20 0.34
F10 P00742 3/20 0.34
PLG P00747 2/20 0.34
PLAU P00749 2/20 0.34
PLAT P00750 2/20 0.34
KLK1 P06870 1/20 0.34
KLK5 Q9Y337 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL6563773 0.88 LDHA (0.42) LMNAALDH1A1MAPTKMT2AHTT
SCHEMBL6565363 0.88 GAA (0.41) LMNAALDH1A1MAPTKMT2AHTT
SCHEMBL6561978 0.80 PLA2G7 (0.39) F7F3F2F10PLG
SCHEMBL6563277 0.80 F2 (0.41) F7F3F2F10PLG
SCHEMBL7675036 0.76 F10 (0.42) ALDH1A1MAPTKMT2AGAAF7
SCHEMBL6562338 0.76 GAA (0.47) LMNAALDH1A1MAPTKMT2AHTT
SCHEMBL6565886 0.76 F7 (0.35) F7F3F2F10PLG
SCHEMBL6561958 0.76 ACACB (0.49) KMT2AF7F3F2F10
SCHEMBL6563588 0.75 F2 (0.41) F7F3F2F10PLG
SCHEMBL6565349 0.75 F2 (0.38) F7F3F2F10PLG

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