SCHEMBL13186366

SCHEMBL13186366

Nc1c(C(=O)Nc2ccc(NO)cc2)sc2nc3c(cc12)CCCC3

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.81
TP53 P04637 9/20 0.81
SMN1; SMN2 Q16637 5/20 0.81
RXFP1 Q9HBX9 1/20 0.81
POLB P06746 8/20 0.78
ADORA2A P29274 1/20 0.76
NPC1 O15118 5/20 0.71
RAB9A P51151 5/20 0.71
CASP3 P42574 1/20 0.70
KLF5 Q13887 1/20 0.70
SENP8 Q96LD8 1/20 0.70
SENP7 Q9BQF6 1/20 0.70
SENP6 Q9GZR1 1/20 0.70
TDP1 Q9NUW8 2/20 0.67
KDM4E B2RXH2 3/20 0.63
ALDH1A1 P00352 2/20 0.63
EEF2K O00418 1/20 0.63
NFKB1 P19838 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62

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
SCHEMBL13186409 0.98 MAPT (0.77) MAPTTP53SMN1; SMN2RXFP1POLB
SCHEMBL18537666 0.90 MAPT (0.80) MAPTTP53SMN1; SMN2RXFP1POLB
SCHEMBL22542452 0.90 MAPT (0.79) MAPTTP53SMN1; SMN2RXFP1POLB
SCHEMBL14969370 0.90 MAPT (0.80) MAPTTP53SMN1; SMN2RXFP1POLB
SCHEMBL426553 0.90 MAPT (0.80) MAPTTP53SMN1; SMN2RXFP1POLB
SCHEMBL22542446 0.90 MAPT (0.82) MAPTTP53SMN1; SMN2RXFP1POLB
SCHEMBL10134578 0.89 MAPT (0.81) MAPTTP53SMN1; SMN2RXFP1POLB
SCHEMBL426251 0.89 MAPT (0.78) MAPTTP53SMN1; SMN2RXFP1POLB
SCHEMBL18537615 0.89 MAPT (0.77) MAPTTP53SMN1; SMN2RXFP1POLB
SCHEMBL429261 0.89 MAPT (0.81) MAPTTP53SMN1; SMN2RXFP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3181568-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS Siga Technologies, Inc. (US) 2017-06-21 EP disclosed
EP-2400845-B1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECH INC (US) 2017-02-22 EP disclosed
WO-2014089378-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2014-06-12 WO disclosed
WO-2010099166-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2010-09-02 WO disclosed