SCHEMBL18993454

SCHEMBL18993454

O=C(Nc1ccc(S)cc1)c1ccco1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.75
PTPN1 P18031 1/20 0.75
PTPN6 P29350 1/20 0.75
PTPN11 Q06124 1/20 0.75
RAB9A P51151 12/20 0.72
NPC1 O15118 9/20 0.71
SMN1; SMN2 Q16637 6/20 0.71
TP53 P04637 6/20 0.71
GAA P10253 2/20 0.71
KMT2A Q03164 3/20 0.69
MAPT P10636 3/20 0.69
MEN1 O00255 2/20 0.69
GFER P55789 1/20 0.69
PKM P14618 1/20 0.65
LMNA P02545 1/20 0.63
APOBEC3G Q9HC16 1/20 0.63
KDM4E B2RXH2 1/20 0.61
NFKB1 P19838 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61

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
SCHEMBL7743465 0.86 PTPN2 (0.75) PTPN2PTPN1PTPN6PTPN11RAB9A
SCHEMBL6637453 0.84 PTPN2 (0.77) PTPN2PTPN1PTPN6PTPN11RAB9A
SCHEMBL2997673 0.84 RAB9A (1.00) PTPN2PTPN1PTPN6PTPN11RAB9A
SCHEMBL94919 0.83 PTPN2 (0.75) PTPN2PTPN1PTPN6PTPN11RAB9A
SCHEMBL22823075 0.83 RAB9A (1.00) PTPN2PTPN1PTPN6PTPN11RAB9A
SCHEMBL6633899 0.83 PTPN2 (0.75) PTPN2PTPN1PTPN6PTPN11RAB9A
SCHEMBL7716927 0.83 PTPN2 (0.75) PTPN2PTPN1PTPN6PTPN11RAB9A
SCHEMBL1846669 0.83 RAB9A (0.83) PTPN2PTPN1PTPN6PTPN11RAB9A
SCHEMBL7020527 0.83 RAB9A (1.00) PTPN2PTPN1PTPN6PTPN11RAB9A
SCHEMBL6632968 0.83 RAB9A (1.00) PTPN2PTPN1PTPN6PTPN11RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3290525-B1 METHOD FOR SCREENING DRUG AND THERAPEUTIC TARGET USED FOR TREATING ALZHEIMER'S DISEASE JIANGSU NUO BETA PHARMACEUTICAL TECH CO LTD (CN) 2022-02-23 EP disclosed
EP-3290525-A1 METHOD FOR SCREENING DRUG AND THERAPEUTIC TARGET USED FOR TREATING ALZHEIMER'S DISEASE Jiangsu Nuo-Beta Pharmaceutical Technology Co., Ltd. (CN) 2018-03-07 EP disclosed
US-9682931-B2 Aryloyl(oxy or amino)pentafluorosulfanylbenzene compound, pharmaceutically acceptable salt thereof, and prodrugs thereof UBE INDUSTRIES, LTD. (JP) 2017-06-20 US disclosed