SCHEMBL18999953

SCHEMBL18999953

CN1CCc2nc3sc(C(=O)Nc4ccc(O)cc4)c(N)c3c(-c3cccs3)c2C1

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.79
ALDH1A1 P00352 10/20 0.79
KMT2A Q03164 9/20 0.79
POLB P06746 2/20 0.79
NPSR1 Q6W5P4 6/20 0.76
MEN1 O00255 8/20 0.60
HPGD P15428 4/20 0.54
TDP1 Q9NUW8 2/20 0.54
KDM4E B2RXH2 2/20 0.54
GAA P10253 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HTT P42858 1/20 0.53
LMNA P02545 5/20 0.52
ADORA2A P29274 1/20 0.50
TP53 P04637 2/20 0.47
RXFP1 Q9HBX9 2/20 0.46
FOXM1 Q08050 1/20 0.46
MPO P05164 1/20 0.45
PKM P14618 1/20 0.42

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
SCHEMBL430245 0.93 MAPT (0.84) MAPTALDH1A1KMT2APOLBNPSR1
SCHEMBL426200 0.93 MAPT (0.78) MAPTALDH1A1KMT2APOLBNPSR1
SCHEMBL427912 0.92 MAPT (0.77) MAPTALDH1A1KMT2APOLBNPSR1
SCHEMBL13392954 0.89 MAPT (0.72) MAPTALDH1A1KMT2APOLBNPSR1
SCHEMBL13393681 0.89 MAPT (0.72) MAPTALDH1A1KMT2APOLBNPSR1
SCHEMBL19000235 0.87 MAPT (0.60) MAPTALDH1A1KMT2APOLBNPSR1
SCHEMBL426621 0.86 MAPT (1.00) MAPTALDH1A1KMT2APOLBNPSR1
SCHEMBL426544 0.86 MAPT (0.75) MAPTALDH1A1KMT2APOLBNPSR1
SCHEMBL14955157 0.85 MAPT (0.79) MAPTALDH1A1KMT2APOLBNPSR1
SCHEMBL426622 0.84 MAPT (0.77) MAPTALDH1A1KMT2APOLBNPSR1

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