SCHEMBL20056483

SCHEMBL20056483

Cc1cc(-c2cc(Cl)ccc2F)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.57
TLR8 Q9NR97 3/20 0.55
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B1 P14061 4/20 0.48
HSD17B2 P37059 4/20 0.48
HSD17B14 Q9BPX1 4/20 0.44
ESR1 P03372 1/20 0.41
PIM1 P11309 1/20 0.40
ALOX5 P09917 1/20 0.40
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL20056636 0.79 ESR2 (0.53) ESR2TLR8MEN1KMT2A
SCHEMBL22717252 0.79 TLR8 (0.56) ESR2TLR8MEN1KMT2AHSD17B1
SCHEMBL12668310 0.77 HSD17B1 (0.60) ESR2HSD17B1HSD17B2HSD17B14ESR1
SCHEMBL171059 0.77
SCHEMBL16574098 0.77 MAP4K4 (0.48) PIM1
SCHEMBL5843930 0.76 ALOX15 (0.53) ESR2MEN1KMT2AESR1PIM1
SCHEMBL7870739 0.76 PTGS2 (0.44) MEN1KMT2APIM1
Potassium SCHEMBL30562954 0.75 ESR2 (0.59) ESR2TLR8MEN1KMT2AESR1
SCHEMBL30991479 0.75 ESR2 (0.59) ESR2TLR8MEN1KMT2AESR1
SCHEMBL27457915 0.75 ESR2 (0.59) ESR2TLR8MEN1KMT2AESR1

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-2970353-B1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMA (US) 2018-04-18 EP disclosed