SCHEMBL8892501

SCHEMBL8892501

CCc1ccccc1NC(=S)Nc1nnn[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
GAA P10253 2/20 0.55
ALDH1A1 P00352 1/20 0.55
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
PKM P14618 1/20 0.41
ALOX12 P18054 1/20 0.41
CYP2C19 P33261 1/20 0.41
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39

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
SCHEMBL9453905 0.81 MAPT (0.79) MAPTGAAALDH1A1KMT2AL3MBTL1
SCHEMBL6960263 0.78 GAA (0.55) MAPTGAAALDH1A1KMT2AL3MBTL1
SCHEMBL6961905 0.76 GAA (0.62) MAPTGAAALDH1A1KMT2AL3MBTL1
SCHEMBL6959673 0.74 ALDH1A1 (0.60) MAPTGAAALDH1A1KMT2AL3MBTL1
SCHEMBL6956097 0.74 NPC1 (0.57) MAPTGAAALDH1A1KMT2AHTT
SCHEMBL6952759 0.73 NPSR1 (0.67) MAPTGAAALDH1A1KMT2AHTT
SCHEMBL23264324 0.73 ALDH1A1 (0.68) MAPTGAAALDH1A1KMT2AL3MBTL1
SCHEMBL6955646 0.73 ALDH1A1 (0.68) MAPTGAAALDH1A1KMT2AL3MBTL1
SCHEMBL5452442 0.73 MAPT (0.72) MAPTGAAALDH1A1KMT2AL3MBTL1
SCHEMBL6958883 0.72 KMT2A (0.66) MAPTGAAALDH1A1KMT2AHTT

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
US-5593993-A VIRICIDES FOR HTLV TREATMENT OF AIDS MEDIVIR AB (SE) 1997-01-14 US disclosed