SCHEMBL31058397

SCHEMBL31058397

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 7/20 0.35
▸ PSMB1 P20618 4/20 0.34
▸ PSMB5 P28074 4/20 0.34
▸ TSHR P16473 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ APLNR P35414 2/20 0.30
▸ FPR2 P25090 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ PPARG P37231 1/20 0.30
▸ NCOA2 Q15596 1/20 0.30
▸ NCOA1 Q15788 1/20 0.30
▸ NCOA3 Q9Y6Q9 1/20 0.30
▸ EGFR P00533 1/20 0.30

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
SCHEMBL25321744 1.00 AAK1 (0.35) AAK1PSMB1PSMB5TSHRALDH1A1
SCHEMBL25321749 1.00 AAK1 (0.35) AAK1PSMB1PSMB5TSHRALDH1A1
SCHEMBL31362889 0.89 AAK1 (0.37) AAK1PSMB1PSMB5FPR2
SCHEMBL31058394 0.86 AAK1 (0.40) AAK1PSMB1PSMB5FPR2
SCHEMBL25318426 0.86 AAK1 (0.40) AAK1PSMB1PSMB5FPR2
SCHEMBL25318429 0.86 AAK1 (0.40) AAK1PSMB1PSMB5FPR2
SCHEMBL30550753 0.84 HTR2C (0.36) PSMB1PSMB5APLNR
SCHEMBL25320682 0.84 HTR2C (0.36) PSMB1PSMB5APLNR
SCHEMBL25320684 0.84 HTR2C (0.36) PSMB1PSMB5APLNR
SCHEMBL25319630 0.80 PSMB1 (0.40) AAK1PSMB1PSMB5FPR2

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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