SCHEMBL31058404

SCHEMBL31058404

C[C@@H](CC(=O)Cn1ccc2cc(Br)c(F)cc2c1=O)NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PSMB1 P20618 6/20 0.40
▸ PSMB5 P28074 6/20 0.40
▸ AAK1 Q2M2I8 4/20 0.38
▸ KDM4E B2RXH2 1/20 0.35
▸ ELANE P08246 1/20 0.33
▸ FPR2 P25090 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PSMB2 P49721 1/20 0.33
▸ TRPA1 O75762 1/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ TNF P01375 1/20 0.32
▸ NPC1 O15118 1/20 0.32

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
SCHEMBL25319637 1.00 PSMB1 (0.40) PSMB1PSMB5AAK1KDM4EELANE
SCHEMBL25319630 1.00 PSMB1 (0.40) PSMB1PSMB5AAK1KDM4EELANE
SCHEMBL25318426 0.84 AAK1 (0.40) PSMB1PSMB5AAK1FPR2PSMB2
SCHEMBL31058394 0.84 AAK1 (0.40) PSMB1PSMB5AAK1FPR2PSMB2
SCHEMBL25318429 0.84 AAK1 (0.40) PSMB1PSMB5AAK1FPR2PSMB2
SCHEMBL31362889 0.83 AAK1 (0.37) PSMB1PSMB5AAK1KDM4EFPR2
SCHEMBL30550618 0.80 PSMB1 (0.43) PSMB1PSMB5KDM4EMEN1KMT2A
SCHEMBL25321285 0.80 PSMB1 (0.43) PSMB1PSMB5KDM4EMEN1KMT2A
SCHEMBL25321281 0.80 PSMB1 (0.43) PSMB1PSMB5KDM4EMEN1KMT2A
SCHEMBL25321744 0.80 AAK1 (0.35) PSMB1PSMB5AAK1FPR2

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-118591537-A PARP7 inhibitors 吉利德科学公司 2024-09-03 — — CN disclosed
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