SCHEMBL8000414

SCHEMBL8000414

Nc1ccc(C(=O)c2ccc(N)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.50
ALDH1A1 P00352 9/20 0.49
TDP1 Q9NUW8 7/20 0.49
HSD17B10 Q99714 5/20 0.49
CASP1 P29466 3/20 0.49
CASP7 P55210 2/20 0.49
MAPT P10636 5/20 0.47
KDM4E B2RXH2 5/20 0.47
RECQL P46063 5/20 0.47
GAA P10253 4/20 0.47
POLB P06746 4/20 0.47
CASP6 P55212 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NSD2 O96028 2/20 0.47
APEX1 P27695 2/20 0.47
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ELAVL1 Q15717 1/20 0.45

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
SCHEMBL8430986 0.89 RAPGEF4 (0.49) RAPGEF4ALDH1A1TDP1HSD17B10CASP1
SCHEMBL27509312 0.88 RAPGEF4 (0.50) RAPGEF4ALDH1A1TDP1HSD17B10CASP1
SCHEMBL3059008 0.86 ALDH1A1 (0.61) RAPGEF4ALDH1A1TDP1HSD17B10CASP1
SCHEMBL1373524 0.86 ALDH1A1 (0.61) RAPGEF4ALDH1A1TDP1HSD17B10CASP1
Water SCHEMBL28296857 0.86 RAPGEF4 (0.49) RAPGEF4ALDH1A1TDP1HSD17B10CASP1
SCHEMBL7787675 0.86 MAPT (0.51) RAPGEF4ALDH1A1TDP1HSD17B10CASP1
SCHEMBL21834461 0.85 ALDH1A1 (0.59) RAPGEF4ALDH1A1TDP1HSD17B10CASP1
SCHEMBL5185434 0.82 RAPGEF4 (0.49) RAPGEF4ALDH1A1TDP1HSD17B10CASP1
SCHEMBL29105091 0.82 RAPGEF4 (0.45) RAPGEF4ALDH1A1TDP1HSD17B10CASP1
SCHEMBL7511717 0.79 RAPGEF4 (0.56) RAPGEF4ALDH1A1TDP1HSD17B10CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1023168-A4 FIBER-REINFORCED PHTHALONITRILE COMPOSITE CURED WITH LOW-REACTIVITY AROMATIC AMINE CURING AGENT US NAVY (US) 2000-12-20 EP disclosed
EP-1023168-A1 FIBER-REINFORCED PHTHALONITRILE COMPOSITE CURED WITH LOW-REACTIVITY AROMATIC AMINE CURING AGENT THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY OF THE NAVY (US) 2000-08-02 EP disclosed
WO-1999017928-A1 FIBER-REINFORCED PHTHALONITRILE COMPOSITE CURED WITH LOW-REACTIVITY AROMATIC AMINE CURING AGENT THE GOVERNMENT OF THE UNITED STATES, REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1999-04-15 WO disclosed