SCHEMBL13186407

SCHEMBL13186407

Nc1c(C(=O)Nc2ccc(NO)cc2)sc2nc3c(c(-c4ccco4)c12)CCCC3

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.86
MEN1 O00255 6/20 0.86
KMT2A Q03164 6/20 0.86
MAPT P10636 6/20 0.86
NPSR1 Q6W5P4 4/20 0.86
LMNA P02545 3/20 0.83
KDM4E B2RXH2 2/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
HTT P42858 2/20 0.71
EEF2K O00418 8/20 0.70
HSD17B10 Q99714 2/20 0.69
USP2 O75604 1/20 0.69
PTK2B Q14289 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
HPGD P15428 3/20 0.57
TP53 P04637 1/20 0.57
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57
BRCA1 P38398 1/20 0.57
MAPK10 P53779 1/20 0.57

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
SCHEMBL13186408 0.98 KMT2A (0.86) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL14969506 0.92 ALDH1A1 (0.97) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL13392956 0.91 ALDH1A1 (0.84) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL18537648 0.91 ALDH1A1 (0.88) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL14969396 0.90 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL426340 0.89 MEN1 (0.80) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL18819112 0.88 KMT2A (0.81) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL427662 0.87 MEN1 (0.80) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL15788371 0.87 ALDH1A1 (0.81) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL430508 0.85 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AMAPTNPSR1

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