SCHEMBL29244446

SCHEMBL29244446

COC[C@H](COc1c(Cl)nc(Cl)nc1NCCc1c[nH]c2cc(F)ccc12)NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 4/20 0.38
▸ HDAC4 P56524 4/20 0.38
▸ HDAC1 Q13547 4/20 0.38
▸ HDAC7 Q8WUI4 4/20 0.38
▸ HDAC2 Q92769 4/20 0.38
▸ HDAC10 Q969S8 4/20 0.38
▸ HDAC11 Q96DB2 4/20 0.38
▸ HDAC8 Q9BY41 4/20 0.38
▸ HDAC6 Q9UBN7 4/20 0.38
▸ HDAC9 Q9UKV0 4/20 0.38
▸ HDAC5 Q9UQL6 4/20 0.38
▸ SYK P43405 1/20 0.38
▸ SPR P35270 1/20 0.37
▸ IP6K1 Q92551 2/20 0.36
▸ SCN9A Q15858 1/20 0.35
▸ ACHE P22303 2/20 0.34
▸ TACR1 P25103 1/20 0.34
▸ GHSR Q92847 1/20 0.34
▸ NOTUM Q6P988 2/20 0.34
▸ MTNR1A P48039 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
SCHEMBL30698009 1.00 HDAC3 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29244444 1.00 HDAC3 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29244466 0.90 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30278175 0.90 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31535585 0.90 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29244465 0.90 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29244547 0.90 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31535639 0.83 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29244475 0.82 IP6K1 (0.41) SPRIP6K1NOTUMHTR1ADRD2
SCHEMBL29244478 0.82 IP6K1 (0.41) SPRIP6K1NOTUMHTR1ADRD2

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
CN-118076613-A Compounds useful for modulating AhR signaling 捷豹治疗有限公司 2024-05-24 — — CN disclosed
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