SCHEMBL16401979

SCHEMBL16401979

CCSSn1cnc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.46
▸ CYP11B1 P15538 5/20 0.41
▸ CYP11B2 P19099 5/20 0.41
▸ TNF P01375 1/20 0.41
▸ HTT P42858 6/20 0.41
▸ LMNA P02545 5/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ ASAH1 Q13510 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ APAF1 O14727 1/20 0.38

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
SCHEMBL273486 0.83 TDP1 (0.52) TDP1CYP11B1CYP11B2TNFHTT
SCHEMBL9060998 0.82 TDP1 (0.48) TDP1CYP11B1CYP11B2TNFHTT
SCHEMBL4394556 0.82 ASAH1 (0.49) TDP1HTTLMNASMN1; SMN2ASAH1
SCHEMBL4075893 0.82 ASAH1 (0.49) TDP1HTTLMNASMN1; SMN2ASAH1
SCHEMBL3805246 0.79 TDP1 (0.42) TDP1CYP11B1CYP11B2TNFHTT
SCHEMBL16402072 0.78 MEN1 (0.42) TDP1CYP11B1CYP11B2TNFHTT
SCHEMBL8792548 0.76 TDP1 (0.46) TDP1CYP11B1CYP11B2TNFHTT
SCHEMBL6381049 0.76 TDP1 (0.48) TDP1CYP11B1CYP11B2TNFHTT
SCHEMBL8013907 0.75 TDP1 (0.52) TDP1CYP11B1CYP11B2TNFHTT
SCHEMBL8412995 0.74 MEN1 (0.47) TDP1CYP11B1CYP11B2TNFHTT

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
WO-2015009699-A1 METHODS AND COMPOSITIONS TO PREVENT OR TREAT BACTERIAL INFECTIONS KETTER PATRICK (US) 2015-01-22 — — WO disclosed
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