SCHEMBL23949485

SCHEMBL23949485

O=C(O)C1Nc2c(cccc2C(F)(F)F)C2C=CCC12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 12/20 1.00
HSPA1A P0DMV8 8/20 1.00
HSPA8 P11142 6/20 1.00
MEN1 O00255 5/20 1.00
KMT2A Q03164 5/20 1.00
POLB P06746 6/20 0.70
GAPDH P04406 5/20 0.70
TDP1 Q9NUW8 5/20 0.70
KDM4E B2RXH2 4/20 0.70
MAPT P10636 4/20 0.70
HSD17B10 Q99714 4/20 0.70
L3MBTL1 Q9Y468 4/20 0.70
RECQL P46063 3/20 0.70
BLM P54132 3/20 0.70
THRB P10828 2/20 0.70
CACNA1B Q00975 2/20 0.70
APBA1 Q02410 2/20 0.70
ALOX15 P16050 2/20 0.70
USP2 O75604 1/20 0.70
GAA P10253 1/20 0.70

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
SCHEMBL2116061 0.82 PTPN7 (1.00) PTPN7HSPA1AHSPA8MEN1KMT2A
SCHEMBL2804418 0.81 CDC25B (1.00) PTPN7HSPA1AHSPA8MEN1KMT2A
SCHEMBL14680373 0.81 PTPN7 (1.00) PTPN7HSPA1AHSPA8MEN1KMT2A
SCHEMBL14758490 0.81 CDC25B (1.00) PTPN7HSPA1AHSPA8MEN1KMT2A
SCHEMBL13726071 0.79 PTPN7 (1.00) PTPN7HSPA1AHSPA8MEN1KMT2A
SCHEMBL16706090 0.79 MEN1 (1.00) PTPN7HSPA1AHSPA8MEN1KMT2A
SCHEMBL2117317 0.78 PTPN7 (1.00) PTPN7HSPA1AHSPA8MEN1KMT2A
SCHEMBL13856221 0.77 NR4A1 (1.00) PTPN7HSPA1AHSPA8MEN1KMT2A
SCHEMBL13726075 0.76 CDC25B (0.76) PTPN7HSPA1AHSPA8MEN1KMT2A
SCHEMBL13856742 0.76 PTPN7 (1.00) PTPN7HSPA1AHSPA8MEN1KMT2A

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-2021209689-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING SWEET POTATO AGAINST SWEET POTATO PATHOGENIC VIRUSES HELSINGIN YLIOPISTO (FI) 2021-10-21 WO disclosed