SCHEMBL30193038

SCHEMBL30193038

Cc1cc(Br)c(Cl)c(OC[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 9/20 0.50
▸ PTGER1 P34995 1/20 0.37
▸ HDAC3 O15379 3/20 0.34
▸ HDAC4 P56524 3/20 0.34
▸ HDAC1 Q13547 3/20 0.34
▸ HDAC7 Q8WUI4 3/20 0.34
▸ HDAC2 Q92769 3/20 0.34
▸ HDAC10 Q969S8 3/20 0.34
▸ HDAC11 Q96DB2 3/20 0.34
▸ HDAC8 Q9BY41 3/20 0.34
▸ HDAC6 Q9UBN7 3/20 0.34
▸ HDAC9 Q9UKV0 3/20 0.34
▸ HDAC5 Q9UQL6 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL23833250 1.00 AAK1 (0.50) AAK1PTGER1HDAC3HDAC4HDAC1
SCHEMBL23833248 1.00 AAK1 (0.50) AAK1PTGER1HDAC3HDAC4HDAC1
SCHEMBL30169241 0.89 AAK1 (0.47) AAK1PTGER1HDAC3HDAC4HDAC1
SCHEMBL22526458 0.89 AAK1 (0.47) AAK1PTGER1HDAC3HDAC4HDAC1
SCHEMBL23833065 0.89 AAK1 (0.47) AAK1PTGER1HDAC3HDAC4HDAC1
SCHEMBL30169243 0.88 AAK1 (0.48) AAK1PTGER1HDAC3HDAC4HDAC1
SCHEMBL22526454 0.88 AAK1 (0.48) AAK1PTGER1HDAC3HDAC4HDAC1
SCHEMBL28967220 0.88 AAK1 (0.48) AAK1PTGER1HDAC3HDAC4HDAC1
SCHEMBL27146597 0.87 AAK1 (0.34) AAK1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL27008149 0.87 AAK1 (0.34) AAK1ALDH1A1MEN1KMT2ASMN1; SMN2

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
EP-4121055-A1 STAT DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2023-01-25 — — EP disclosed
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