SCHEMBL6563916

SCHEMBL6563916

N=C(N)c1ccc(NCC#Cc2ccc(S(=O)(=O)c3ccccc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS6 Q8IU80 4/20 0.47
KMT2A Q03164 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 2/20 0.41
MAPT P10636 1/20 0.41
PRSS1 P07477 7/20 0.40
MRGPRX1 Q96LB2 1/20 0.40
HPN P05981 4/20 0.40
PLAU P00749 3/20 0.40
F2 P00734 2/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40
ST14 Q9Y5Y6 2/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 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
SCHEMBL7669552 0.91 HPN (0.45) KMT2AMEN1MAPTPRSS1HPN
SCHEMBL6563625 0.84 PRSS1 (0.43) TMPRSS6HPGDLMNAPRSS1MRGPRX1
SCHEMBL6561827 0.81 MRGPRX1 (0.51) TMPRSS6PRSS1MRGPRX1F2PRSS2
SCHEMBL6565487 0.81 MAPT (0.44) HPGDKDM4ELMNAMAPK1MAPT
SCHEMBL6563461 0.79 PRSS1 (0.49) TMPRSS6PRSS1MRGPRX1HPNPLAU
SCHEMBL6561886 0.79 PLAU (0.53) KMT2AKDM4EMRGPRX1PLAUF2
SCHEMBL6565256 0.79 AKR1C3 (0.44) PRSS1MRGPRX1PLAUF2PRSS2
SCHEMBL7675063 0.77 F2 (0.48) TMPRSS6PRSS1PLAUF2PRSS2
SCHEMBL7670899 0.77 PRSS1 (0.43) TMPRSS6LMNAPRSS1HPNPLAU
SCHEMBL6561878 0.77 PRSS1 (0.43) TMPRSS6PRSS1F2PRSS2PRSS3

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