SCHEMBL21133085

SCHEMBL21133085

O=C(Nc1cccc(S)c1)c1ccc(F)cc1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.78
KMT2A Q03164 8/20 0.78
KCNK3 O14649 3/20 0.71
KCNK9 Q9NPC2 2/20 0.71
RAB9A P51151 3/20 0.59
NPC1 O15118 2/20 0.59
HPGD P15428 1/20 0.59
POLB P06746 2/20 0.58
SNCA P37840 1/20 0.56
PTPN1 P18031 1/20 0.56
CYP11B1 P15538 1/20 0.55
CYP11B2 P19099 1/20 0.55
MAPT P10636 2/20 0.54
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MITF O75030 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CES1 P23141 1/20 0.53

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
SCHEMBL2358354 0.88 MEN1 (1.00) MEN1KMT2AKCNK3KCNK9RAB9A
SCHEMBL15847384 0.85 KCNK3 (0.76) MEN1KMT2AKCNK3KCNK9RAB9A
SCHEMBL27090255 0.83 KCNK3 (0.61) MEN1KMT2AKCNK3KCNK9RAB9A
SCHEMBL10069137 0.82 CA12 (0.60) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL1814173 0.81 KCNK3 (0.82) MEN1KMT2AKCNK3KCNK9RAB9A
SCHEMBL22699737 0.81 MEN1 (0.84) MEN1KMT2AKCNK3KCNK9RAB9A
SCHEMBL3146770 0.81 MEN1 (0.78) MEN1KMT2AKCNK3KCNK9RAB9A
SCHEMBL21620313 0.81 MEN1 (0.78) MEN1KMT2AKCNK3KCNK9RAB9A
SCHEMBL148104 0.81 MEN1 (0.78) MEN1KMT2AKCNK3KCNK9RAB9A
Hydrochloric Acid SCHEMBL2107095 0.79 KCNK3 (0.79) MEN1KMT2AKCNK3KCNK9RAB9A

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-3502198-A1 INK FOR INK JET RECORDING, INK JET RECORDING METHOD, INFRARED READING METHOD, AND PRINTED PRODUCT FUJIFILM Corporation (JP) 2019-06-26 EP disclosed