SCHEMBL23716888

SCHEMBL23716888

O=C(C[n+]1ccccc1Br)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.62
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
PTPN1 P18031 1/20 0.53
GSK3B P49841 1/20 0.53
HAO1 Q9UJM8 2/20 0.50
ERCC5 P28715 1/20 0.50
FEN1 P39748 1/20 0.50
ALDH1A1 P00352 6/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
LMNA P02545 4/20 0.49
MAPT P10636 4/20 0.49
RAB9A P51151 2/20 0.49
MITF O75030 1/20 0.49
NR2F2 P24468 1/20 0.49
HTT P42858 1/20 0.49
NPC1 O15118 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
FFAR1 O14842 1/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL29669559 0.90 KMT2A (0.57) KDM4EKMT2AMEN1PTPN1GSK3B
SCHEMBL7047435 0.90 KMT2A (0.57) KDM4EKMT2AMEN1PTPN1GSK3B
Bromide SCHEMBL11248275 0.89 KMT2A (0.59) KDM4EKMT2AMEN1PTPN1GSK3B
Ammonia Solution, Strong SCHEMBL28760024 0.89 KMT2A (0.55) KDM4EKMT2AMEN1PTPN1GSK3B
SCHEMBL23716901 0.81 KMT2A (0.71) KDM4EKMT2AMEN1GSK3BLMNA
SCHEMBL13203515 0.78 KDM4E (0.96) KDM4EKMT2AMEN1PTPN1GSK3B
Bromide SCHEMBL8662013 0.77 KDM4E (1.00) KDM4EKMT2AMEN1PTPN1GSK3B
Iodide SCHEMBL28170350 0.75 KMT2A (0.47) KDM4EKMT2AMEN1ALDH1A1SMN1; SMN2
Bromide SCHEMBL31222458 0.73 KDM4E (0.55) KDM4EKMT2AMEN1PTPN1GSK3B
SCHEMBL2230710 0.72 KMT2A (0.68) KDM4EKMT2AMEN1GSK3BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3862431-B1 METHOD FOR PRODUCING HAIRPIN SINGLE-STRAND RNA MOLECULES TORAY INDUSTRIES (JP) 2024-06-26 EP disclosed
US-20240110186-A1 METHOD OF PRODUCING HAIRPIN SINGLE-STRANDED RNA MOLECULES TORAY INDUSTRIES, INC. (JP) 2024-04-04 US disclosed
US-11891602-B2 Method of producing hairpin single-stranded RNA molecules TORAY INDUSTRIES, INC. (JP) 2024-02-06 US disclosed
US-20210317495-A1 METHOD OF PRODUCING HAIRPIN SINGLE-STRANDED RNA MOLECULES TORAY INDUSTRIES, INC. (JP) 2021-10-14 US disclosed
EP-3862431-A1 METHOD FOR PRODUCING HAIRPIN SINGLE-STRAND RNA MOLECULES Toray Industries, Inc. (JP) 2021-08-11 EP disclosed
CN-112673102-A Preparation method of hairpin type single-stranded RNA molecule 东丽株式会社 2021-04-16 CN disclosed