SCHEMBL18999975

SCHEMBL18999975

N#Cc1cc2c(N)c(C=O)sc2nc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.56
ALDH1A1 P00352 8/20 0.56
MAPT P10636 7/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
RXFP1 Q9HBX9 1/20 0.56
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
RAB9A P51151 3/20 0.50
HTT P42858 2/20 0.50
LMNA P02545 4/20 0.46
NPC1 O15118 2/20 0.46
POLB P06746 3/20 0.45
GAA P10253 1/20 0.36
HSD17B10 Q99714 4/20 0.34
USP2 O75604 1/20 0.34
ALOX15 P16050 1/20 0.34
XBP1 P17861 1/20 0.34
HPGD P15428 1/20 0.33
CSNK1A1 P48729 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32

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
SCHEMBL18537688 0.77 KDM4E (0.60) KDM4EALDH1A1MAPTSMN1; SMN2RXFP1
SCHEMBL14955568 0.75 MAPT (0.74) KDM4EALDH1A1MAPTSMN1; SMN2RXFP1
SCHEMBL19769220 0.75 MAPT (0.74) KDM4EALDH1A1MAPTSMN1; SMN2RXFP1
SCHEMBL6251169 0.70 MAPT (0.70) KDM4EALDH1A1MAPTSMN1; SMN2RXFP1
SCHEMBL4892380 0.68 KDM4E (0.52) KDM4EALDH1A1MAPTSMN1; SMN2RXFP1
SCHEMBL425225 0.67 MAPT (0.66) KDM4EALDH1A1MAPTSMN1; SMN2RXFP1
SCHEMBL2558296 0.67 NPC1 (0.60) KDM4EALDH1A1MAPTSMN1; SMN2RXFP1
SCHEMBL19000383 0.67 NPC1 (0.61) KDM4EALDH1A1MAPTSMN1; SMN2RXFP1
SCHEMBL10134567 0.67 MAPT (0.82) KDM4EALDH1A1MAPTSMN1; SMN2RXFP1
SCHEMBL18999973 0.66 NPC1 (0.62) KDM4EALDH1A1MAPTSMN1; SMN2RXFP1

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
EP-3181568-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS Siga Technologies, Inc. (US) 2017-06-21 EP disclosed