SCHEMBL23716901

SCHEMBL23716901

COc1ccc(C(=O)C[n+]2ccccc2Br)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.71
KDM4E B2RXH2 2/20 0.62
TDP1 Q9NUW8 2/20 0.62
LMNA P02545 1/20 0.62
NPC1 O15118 4/20 0.56
MAPT P10636 3/20 0.56
RAB9A P51151 2/20 0.56
GAA P10253 1/20 0.53
GSK3B P49841 1/20 0.51
ATM Q13315 1/20 0.49
HSD11B1 P28845 1/20 0.49
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 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 0.83 KMT2A (0.57) KMT2AKDM4ETDP1LMNAMAPT
SCHEMBL7047435 0.83 KMT2A (0.57) KMT2AKDM4ETDP1LMNAMAPT
Ammonia Solution, Strong SCHEMBL28760024 0.82 KMT2A (0.55) KMT2AKDM4ETDP1LMNAMAPT
Bromide SCHEMBL11248275 0.82 KMT2A (0.59) KMT2AKDM4ELMNARAB9AGSK3B
SCHEMBL23716888 0.81 KDM4E (0.62) KMT2AKDM4ELMNANPC1MAPT
Bromide SCHEMBL5259259 0.78 KMT2A (0.73) KMT2AKDM4ETDP1LMNANPC1
SCHEMBL19518362 0.78 KDM4E (0.98) KMT2AKDM4ETDP1LMNANPC1
SCHEMBL14819135 0.77 ATM (0.67) KMT2AKDM4ETDP1LMNANPC1
SCHEMBL19533018 0.77 KDM4E (0.78) KMT2AKDM4ETDP1LMNANPC1
Bromide SCHEMBL8196992 0.76 KMT2A (0.65) KMT2AKDM4ETDP1LMNANPC1

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