SCHEMBL13186294

SCHEMBL13186294

CCNC(=O)c1sc2nc3c(cc2c1N)CN(C)CC3

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.77
ALDH1A1 P00352 5/20 0.77
KMT2A Q03164 4/20 0.77
KDM4E B2RXH2 3/20 0.77
NPSR1 Q6W5P4 2/20 0.77
CYP1A2 P05177 1/20 0.74
CYP2C19 P33261 1/20 0.74
MEN1 O00255 3/20 0.73
TP53 P04637 3/20 0.69
ADORA2A P29274 1/20 0.68
POLB P06746 2/20 0.66
USP2 O75604 1/20 0.66
THRB P10828 1/20 0.66
ALOX15 P16050 1/20 0.66
CASP1 P29466 1/20 0.66
BRCA1 P38398 1/20 0.66
RECQL P46063 1/20 0.66
CASP7 P55210 1/20 0.66
HSD17B10 Q99714 1/20 0.66
TDP1 Q9NUW8 1/20 0.66

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
SCHEMBL428804 0.92 MAPT (0.75) MAPTALDH1A1KMT2AKDM4ENPSR1
SCHEMBL15788373 0.88 ALDH1A1 (0.79) MAPTALDH1A1KMT2AKDM4ENPSR1
SCHEMBL13186493 0.88 MAPT (0.67) MAPTALDH1A1KMT2AKDM4ENPSR1
SCHEMBL431153 0.87 MAPT (1.00) MAPTALDH1A1KMT2AKDM4ENPSR1
SCHEMBL428803 0.86 ALDH1A1 (0.76) MAPTALDH1A1KMT2AKDM4ENPSR1
SCHEMBL424896 0.86 MAPT (0.83) MAPTALDH1A1KMT2AKDM4ENPSR1
SCHEMBL429191 0.85 ALDH1A1 (1.00) MAPTALDH1A1KMT2AKDM4ENPSR1
SCHEMBL426709 0.85 MAPT (0.85) MAPTALDH1A1KMT2AKDM4ENPSR1
SCHEMBL19769239 0.85 ALDH1A1 (0.73) MAPTALDH1A1KMT2AKDM4ENPSR1
SCHEMBL14954741 0.85 ALDH1A1 (0.73) MAPTALDH1A1KMT2AKDM4ENPSR1

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-2400845-B1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECH INC (US) 2017-02-22 EP disclosed
WO-2010099166-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2010-09-02 WO disclosed