SCHEMBL31362923

SCHEMBL31362923

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PSMB1 P20618 7/20 0.38
▸ PSMB5 P28074 7/20 0.38
▸ HTR2C P28335 9/20 0.33
▸ HTR2A P28223 8/20 0.33
▸ PSMB2 P49721 1/20 0.32
▸ TNF P01375 4/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ HTR2B P41595 1/20 0.31

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
SCHEMBL31362912 0.85 HTR2C (0.42) PSMB1PSMB5HTR2CHTR2ACYP1A2
SCHEMBL31388996 0.79 PSMB1 (0.35) PSMB1PSMB5HTR2C
SCHEMBL25318429 0.78 AAK1 (0.40) PSMB1PSMB5PSMB2TNF
SCHEMBL25318426 0.78 AAK1 (0.40) PSMB1PSMB5PSMB2TNF
SCHEMBL31058394 0.78 AAK1 (0.40) PSMB1PSMB5PSMB2TNF
SCHEMBL31389005 0.78 PSMB1 (0.40) PSMB1PSMB5HTR2CHTR2APSMB2
SCHEMBL31388974 0.74 PSMB1 (0.36) PSMB1PSMB5HTR2CHTR2APSMB2
SCHEMBL25321285 0.72 PSMB1 (0.43) PSMB1PSMB5HTR2CHTR2APSMB2
SCHEMBL25321281 0.72 PSMB1 (0.43) PSMB1PSMB5HTR2CHTR2APSMB2
SCHEMBL30550618 0.72 PSMB1 (0.43) PSMB1PSMB5HTR2CHTR2APSMB2

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-2025024663-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2025-01-30 — — WO disclosed
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