SCHEMBL7669552

SCHEMBL7669552

Cc1ccc(S(=O)(=O)c2ccc(C#CCNc3ccc(C(=N)N)cc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPN P05981 13/20 0.45
PLAU P00749 12/20 0.45
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
PKM P14618 1/20 0.41
PRSS1 P07477 2/20 0.40

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
SCHEMBL6563916 0.91 TMPRSS6 (0.47) HPNPLAUMEN1ALDH1A1MAPT
SCHEMBL6563461 0.90 PRSS1 (0.49) HPNPLAUPRSS1
SCHEMBL7670899 0.86 PRSS1 (0.43) HPNPLAUALDH1A1PRSS1
SCHEMBL6563318 0.81 BCHE (0.49) MEN1ALDH1A1MAPTKMT2ACA12
SCHEMBL8558497 0.79 GAA (0.61) HPNPLAUMEN1ALDH1A1MAPT
SCHEMBL6561878 0.77 PRSS1 (0.43) PRSS1
SCHEMBL6563625 0.77 PRSS1 (0.43) ALDH1A1PKMPRSS1
SCHEMBL6563743 0.77 PRSS1 (0.43) PRSS1
SCHEMBL7674188 0.76 EGLN1 (0.44) PLAUPRSS1
SCHEMBL6563675 0.75 F10 (0.47) MEN1ALDH1A1KMT2APRSS1

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