SCHEMBL7677322

SCHEMBL7677322

CC(C#Cc1ccc(C(=O)c2ccccc2)cc1)Nc1ccc(C(=N)N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.40
F7 P08709 6/20 0.40
F2 P00734 6/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
ASIC3 Q9UHC3 1/20 0.39
F10 P00742 5/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
TMPRSS6 Q8IU80 1/20 0.39
ST14 Q9Y5Y6 1/20 0.39

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
SCHEMBL6561971 0.88 ALDH1A1 (0.48) ALDH1A1RAB9ASMN1; SMN2HPGDHTT
SCHEMBL6561903 0.85 RAB9A (0.46) ALDH1A1RAB9ASMN1; SMN2HPGDHTT
SCHEMBL6563640 0.79 ACACB (0.47) ALDH1A1SMN1; SMN2HPGDL3MBTL1F10
SCHEMBL6563625 0.78 PRSS1 (0.43) ALDH1A1RAB9AHPGDL3MBTL1F7
SCHEMBL6564460 0.73 ACACB (0.51) HPGDF7F2F10PRSS1
SCHEMBL1615179 0.70 ALDH1A1 (0.65) ALDH1A1RAB9ASMN1; SMN2HPGDHTT
SCHEMBL8305355 0.70 ALOX5 (0.58)
SCHEMBL7146207 0.70 F2 (0.53) F7F2F10PRSS1PRSS2
SCHEMBL6563277 0.69 F2 (0.41) F7F2MAPK13MAPK12MAPK11
SCHEMBL18574217 0.68 ASIC3 (0.71) F7F2ASIC3F10PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed