SCHEMBL23716895

SCHEMBL23716895

O=C(C[n+]1ccccc1Br)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
GAA P10253 1/20 0.60
MAPT P10636 5/20 0.51
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
TP53 P04637 1/20 0.49
MITF O75030 2/20 0.48
HTT P42858 2/20 0.48
KMO O15229 1/20 0.48
TSHR P16473 2/20 0.48
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
MAPK1 P28482 1/20 0.46
MEN1 O00255 1/20 0.46
HSP90AA1 P07900 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL23716894 0.85 ALDH1A1 (0.54) ALDH1A1GAAMAPTCES2CES1
SCHEMBL7047435 0.79 KMT2A (0.57) ALDH1A1MAPTCES1HTTKDM4E
SCHEMBL29669559 0.79 KMT2A (0.57) ALDH1A1MAPTCES1HTTKDM4E
Ammonia Solution, Strong SCHEMBL28760024 0.77 KMT2A (0.55) ALDH1A1MAPTCES1HTTKDM4E
SCHEMBL73675 0.74 CES2 (0.66) ALDH1A1GAAMAPTCES2CES1
SCHEMBL29703169 0.74 CES2 (0.66) ALDH1A1GAAMAPTCES2CES1
SCHEMBL1986403 0.74 CES2 (0.70) ALDH1A1GAAMAPTCES2CES1
SCHEMBL5500374 0.73 TP53 (0.67) ALDH1A1MAPTCES2CES1TP53
SCHEMBL30512072 0.73 CES2 (0.68) ALDH1A1GAAMAPTCES2CES1
SCHEMBL312393 0.73 CES2 (0.68) ALDH1A1GAAMAPTCES2CES1

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