SCHEMBL28555388

SCHEMBL28555388

CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.c1ccc2c(c1)nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ SLC9A1 P19634 2/20 0.35
▸ KEAP1 Q14145 1/20 0.35
▸ KMT2A Q03164 6/20 0.35
▸ HTT P42858 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HDAC3 O15379 3/20 0.33
▸ HDAC4 P56524 3/20 0.33
▸ HDAC1 Q13547 3/20 0.33
▸ HDAC7 Q8WUI4 3/20 0.33
▸ HDAC2 Q92769 3/20 0.33
▸ HDAC10 Q969S8 3/20 0.33
▸ HDAC11 Q96DB2 3/20 0.33
▸ HDAC8 Q9BY41 3/20 0.33
▸ HDAC6 Q9UBN7 3/20 0.33
▸ HDAC9 Q9UKV0 3/20 0.33
▸ HDAC5 Q9UQL6 3/20 0.33

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
SCHEMBL2507036 0.91 TSHR (0.42) TSHRNPSR1RXFP1SLC9A1KEAP1
SCHEMBL29354050 0.91 TSHR (0.42) TSHRNPSR1RXFP1SLC9A1KEAP1
Phosphine SCHEMBL28247442 0.89 TSHR (0.41) TSHRNPSR1RXFP1SLC9A1KEAP1
Hydrochloric Acid SCHEMBL30943478 0.89 TSHR (0.41) TSHRNPSR1RXFP1SLC9A1KEAP1
SCHEMBL27808614 0.89 TSHR (0.41) TSHRNPSR1RXFP1SLC9A1KEAP1
SCHEMBL28432280 0.88 SLC9A1 (0.45) TSHRNPSR1RXFP1SLC9A1KEAP1
SCHEMBL1497619 0.88 SLC9A1 (0.45) TSHRNPSR1RXFP1SLC9A1KEAP1
SCHEMBL29352246 0.88 SLC9A1 (0.45) TSHRNPSR1RXFP1SLC9A1KEAP1
SCHEMBL29360593 0.85 TSHR (0.46) TSHRNPSR1RXFP1SLC9A1KEAP1
Fluoride Ion SCHEMBL17601912 0.84 TSHR (0.45) TSHRNPSR1RXFP1SLC9A1KEAP1

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
CN-113149885-A EBNA1 inhibitors and methods of using the same 威斯塔解剖学和生物学研究所 2021-07-23 — — CN disclosed
CN-107848964-B EBNA1 inhibitors and methods of using the same 威斯塔解剖学和生物学研究所 2021-03-19 — — CN disclosed
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