SCHEMBL7673754

SCHEMBL7673754

N=C(N)c1ccc(NCC#Cc2ccc(C(=O)c3ccccc3)s2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.41
HPGD P15428 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
PRSS1 P07477 9/20 0.39
F2 P00734 3/20 0.38
PRSS2 P07478 3/20 0.38
PRSS3 P35030 3/20 0.38
TMPRSS6 Q8IU80 3/20 0.38
ST14 Q9Y5Y6 3/20 0.38
ADRA2C P18825 1/20 0.37
MAOA P21397 1/20 0.37
ADRA1A P35348 1/20 0.37
DRD3 P35462 1/20 0.37
KCNH2 Q12809 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL6563256 0.89 HPGD (0.45) HPGDKMT2AMEN1ALDH1A1MAPT
SCHEMBL6563625 0.82 PRSS1 (0.43) HPGDALDH1A1PRSS1F2PRSS2
SCHEMBL6563536 0.81 PPARG (0.39) HPGDKMT2AMEN1ALDH1A1MAPT
SCHEMBL7804850 0.79 RAB9A (0.36) HPGDKMT2AMEN1ALDH1A1MAPT
SCHEMBL6561914 0.76 GRM5 (0.43) HPGDALDH1A1PRSS1F2PRSS2
SCHEMBL7678092 0.76 F2 (0.40) HPGDALDH1A1PRSS1F2PRSS2
SCHEMBL7669697 0.76 MAPK13 (0.40) HPGDALDH1A1PRSS1F2PRSS2
SCHEMBL7670097 0.76 HPGD (0.45) HPGDKMT2AMEN1ALDH1A1MAPT
SCHEMBL6563277 0.76 F2 (0.41) PRSS1F2MRGPRX1
SCHEMBL6565256 0.75 AKR1C3 (0.44) ALDH1A1PRSS1F2PRSS2PRSS3

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