SCHEMBL23031994

SCHEMBL23031994

CC(C)CC(C)(C)C(=O)NCc1ccc(-c2nncnn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.40
▸ EPHX2 P34913 6/20 0.40
▸ NR1H4 Q96RI1 5/20 0.40
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ KIT P10721 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ BTK Q06187 1/20 0.36
▸ MAP3K19 Q56UN5 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ OPRK1 P41145 1/20 0.34
▸ MMP8 P22894 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34

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
SCHEMBL26157078 0.79 ERCC1 (0.50) EPHX2NR1H4HDAC1KDM4ETP53
SCHEMBL24779944 0.77 HPGD (0.59) RIPK1HPGDSMN1; SMN2
SCHEMBL12103897 0.77 KMT2A (0.56) HDAC6EPHX2NR1H4HDAC1KDM4E
SCHEMBL16616006 0.75 NAMPT (0.53) HDAC6EPHX2NR1H4CA1CA2
SCHEMBL23031847 0.75 HPGD (0.45) HDAC6CA1CA2HPGDKDM4E
SCHEMBL25511293 0.74 KMT2A (0.41) HDAC6EPHX2NR1H4HPGDHDAC1
SCHEMBL15748044 0.72 CYP3A4 (0.55) HDAC6EPHX2HPGDHDAC1KDM4E
SCHEMBL22009219 0.72 TSHR (0.39) HDAC6HPGDHDAC1SMN1; SMN2HDAC3
SCHEMBL21422726 0.72 TPSAB1 (0.46) HDAC6EPHX2HPGDHDAC1HDAC3
SCHEMBL17803834 0.72 TPSAB1 (0.46) HDAC6EPHX2NR1H4HPGDHDAC1

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-2021034924-A1 TRANS-CYCLOOCTENE LABELED ANTISENSE OLIGONUCLEOTIDES, RADIO LABELED TETRAZINE AND METHODS BIOGEN MA INC. (US) 2021-02-25 — — WO disclosed
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