SCHEMBL16402072

SCHEMBL16402072

CCC(C)SSn1cnc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ APAF1 O14727 1/20 0.40
▸ CYP11B1 P15538 4/20 0.37
▸ CYP11B2 P19099 4/20 0.37
▸ TNF P01375 1/20 0.37
▸ HTT P42858 4/20 0.37
▸ LMNA P02545 4/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ ASAH1 Q13510 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ PKM P14618 1/20 0.35
▸ GGPS1 O95749 1/20 0.35
▸ FDPS P14324 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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 0.78 TDP1 (0.52) MEN1KMT2AHPGDHSD17B10TDP1
SCHEMBL16401979 0.78 TDP1 (0.46) MEN1KMT2AHPGDHSD17B10TDP1
SCHEMBL16401986 0.75 ALDH1A1 (0.46) MEN1KMT2AHPGDHTTLMNA
SCHEMBL9060998 0.74 TDP1 (0.48) MEN1KMT2AHPGDHSD17B10TDP1
SCHEMBL8412995 0.72 MEN1 (0.47) MEN1KMT2AHPGDHSD17B10TDP1
SCHEMBL8792548 0.71 TDP1 (0.46) MEN1KMT2AHPGDHSD17B10TDP1
SCHEMBL6381049 0.71 TDP1 (0.48) MEN1KMT2AHPGDHSD17B10TDP1
SCHEMBL11497311 0.71 TDP1 (0.39) MEN1KMT2AHPGDHSD17B10TDP1
SCHEMBL4394556 0.71 ASAH1 (0.49) TDP1HTTLMNASMN1; SMN2ASAH1
SCHEMBL4075893 0.71 ASAH1 (0.49) TDP1HTTLMNASMN1; SMN2ASAH1

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
WO-2017004545-A1 METHODS AND COMPOSITIONS TO PREVENT OR TREAT BACTERIAL INFECTIONS KETTER PATRICK (US) 2017-01-05 — — WO disclosed
WO-2015009699-A1 METHODS AND COMPOSITIONS TO PREVENT OR TREAT BACTERIAL INFECTIONS KETTER PATRICK (US) 2015-01-22 — — WO disclosed
Send feedback