SCHEMBL24529730

SCHEMBL24529730

O=C(NCc1ccc(-c2nncnn2)cc1)c1cccc(F)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ HDAC6 Q9UBN7 5/20 0.40
▸ HDAC1 Q13547 4/20 0.40
▸ HDAC4 P56524 4/20 0.40
▸ HDAC3 O15379 3/20 0.40
▸ HDAC7 Q8WUI4 3/20 0.40
▸ HDAC2 Q92769 3/20 0.40
▸ HDAC10 Q969S8 3/20 0.40
▸ HDAC11 Q96DB2 3/20 0.40
▸ HDAC8 Q9BY41 3/20 0.40
▸ HDAC9 Q9UKV0 3/20 0.40
▸ HDAC5 Q9UQL6 3/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ PDE2A O00408 1/20 0.40
▸ EPHX2 P34913 1/20 0.39
▸ NR1H4 Q96RI1 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL29723794 1.00 HPGD (0.46) HPGDALDH1A1CA1CA2HDAC6
SCHEMBL24529746 0.85 HPGD (0.43) HPGDALDH1A1CA1CA2HDAC6
SCHEMBL23015033 0.78 L3MBTL1 (0.61) HDAC6HDAC1HDAC4HDAC3HDAC7
SCHEMBL29723791 0.77 HPGDS (0.48) HDAC6HDAC1HDAC4HDAC3HDAC7
SCHEMBL24529801 0.77 HPGDS (0.48) HDAC6HDAC1HDAC4HDAC3HDAC7
SCHEMBL29723785 0.76 KMT2A (0.53) HPGDHDAC6SMN1; SMN2
SCHEMBL24529732 0.76 KMT2A (0.53) HPGDHDAC6SMN1; SMN2
SCHEMBL12472899 0.74 ALDH1A1 (0.59) HPGDALDH1A1CA1CA2HDAC6
SCHEMBL12103897 0.73 KMT2A (0.56) ALDH1A1HDAC6HDAC1HDAC4HDAC3
SCHEMBL24529733 0.72 CA1 (0.43) HPGDALDH1A1CA1CA2HDAC6

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-116783177-A Pretargeting imaging agent 伊莱利利公司 2023-09-19 — — CN disclosed
WO-2022132924-A1 PRETARGETING IMAGING AGENTS ELI LILLY AND COMPANY (US) 2022-06-23 — — WO disclosed
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