SCHEMBL31584126

SCHEMBL31584126

CC(C)(C)OC(=O)N[C@H](CBr)Cc1ccc2cnccc2c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.45
CTSK P43235 3/20 0.45
CTSB P07858 2/20 0.45
ATM Q13315 1/20 0.42
CYP3A4 P08684 7/20 0.42
PTPN1 P18031 1/20 0.41
ROCK2 O75116 2/20 0.39
CYP17A1 P05093 1/20 0.38
IMPDH2 P12268 2/20 0.38
AKT1 P31749 1/20 0.38
PRMT3 O60678 1/20 0.37
CYP19A1 P11511 1/20 0.37

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
SCHEMBL31584143 0.90 CTSB (0.46) CTSSCTSKCTSBATMCYP3A4
SCHEMBL31584006 0.85 CTSS (0.60) CTSSCTSKCTSBATMPTPN1
SCHEMBL31584094 0.83 CTSS (0.53) CTSSCTSKCTSBPTPN1ROCK2
SCHEMBL24502886 0.83 CTSS (0.53) CTSSCTSKCTSBPTPN1ROCK2
SCHEMBL15316218 0.81 ATM (0.69) CTSSCTSKCTSBATMCYP3A4
SCHEMBL7257731 0.81 CYP3A4 (0.57) ATMCYP3A4
SCHEMBL3838624 0.81 CYP3A4 (0.57) ATMCYP3A4
SCHEMBL5757675 0.77 ATM (0.47) CTSSCTSKCTSBATM
SCHEMBL31583937 0.76 CTSS (0.58) CTSSCTSKCTSBATMPTPN1
SCHEMBL30694698 0.76 PRMT3 (0.49) CYP3A4CYP17A1PRMT3

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-2025106939-A1 CONJUGATES TARGETING FIBROBLAST ACTIVATION PROTEIN AND USES THEREOF Praxis Biotech LLC (US) 2025-05-22 WO disclosed