SCHEMBL31095666

SCHEMBL31095666

Fc1c(CBr)sc2ccc(Br)cc12

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EPM2A O95278 1/20 0.38
▸ PTPN2 P17706 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ PTPN22 Q9Y2R2 1/20 0.38
▸ CYP2A6 P11509 2/20 0.38
▸ IDO1 P14902 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.34
▸ PIM1 P11309 1/20 0.32
▸ PIM2 Q9P1W9 1/20 0.32
▸ CA2 P00918 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 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
SCHEMBL31095644 0.86 CYP2A6 (0.31) CYP2A6HSP90AA1
SCHEMBL31095746 0.84 EPM2A (0.40) EPM2APTPN2PTPN1PTPN22CYP2A6
SCHEMBL216673 0.71 EPM2A (0.53) EPM2APTPN2PTPN1PTPN22CYP2A6
SCHEMBL29432245 0.71 EPM2A (0.53) EPM2APTPN2PTPN1PTPN22CYP2A6
SCHEMBL31095709 0.70 EPM2A (0.31) EPM2APTPN2PTPN1PTPN22CYP2A6
SCHEMBL28824198 0.69 EPM2A (0.49) EPM2APTPN2PTPN1PTPN22CYP2A6
SCHEMBL31095601 0.69 BCKDK (0.43) EPM2APTPN2PTPN1PTPN22CYP2A6
SCHEMBL9949673 0.68 CYP2A6 (0.42) EPM2APTPN2PTPN1PTPN22CYP2A6
SCHEMBL12811607 0.68 EPM2A (0.50) EPM2APTPN2PTPN1PTPN22CYP2A6
SCHEMBL4654001 0.67 PIM1 (0.34) EPM2APTPN2PTPN1PTPN22CYP2A6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4680247-A1 DPP1 INHIBITORS WITH POLYCYCLIC LINKERS AND USES THEREOF Insmed Incorporated (US) 2026-01-21 — — EP disclosed
WO-2024192416-A1 DPP1 INHIBITORS WITH POLYCYCLIC LINKERS AND USES THEREOF INSMED INCORPORATED (US) 2024-09-19 — — WO disclosed
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