SCHEMBL30764979

SCHEMBL30764979

CC(C)(O)Cn1ccc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.52
KRAS P01116 1/20 0.50
PLG P00747 1/20 0.46
PLAU P00749 1/20 0.46
SLC6A2 P23975 1/20 0.43
HTR7 P34969 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP19A1 P11511 1/20 0.40
DGAT1 O75907 1/20 0.39
GLS O94925 1/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL20986010 1.00 AR (0.52) ARKRASPLGPLAUSLC6A2
SCHEMBL26621625 0.86 AR (0.52) ARKRASPLGPLAUSLC6A2
SCHEMBL26621473 0.86 AR (0.52) ARKRASPLGPLAUSLC6A2
SCHEMBL31735481 0.86 AR (0.50) ARKRASPLGPLAUSLC6A2
SCHEMBL18491500 0.86 AR (0.49) ARKRASPLGPLAUSLC6A2
SCHEMBL2420811 0.81 CYP1A2 (0.53) ARKRASPLGPLAUSLC6A2
SCHEMBL12475322 0.81 PLG (0.51) ARKRASPLGPLAUSLC6A2
SCHEMBL9541765 0.81 HTR7 (0.46) ARKRASPLGPLAUSLC6A2
SCHEMBL30764997 0.80 PLG (0.48) ARKRASPLGPLAUSLC6A2
SCHEMBL5591112 0.80 KRAS (0.52) ARKRASPLGPLAUSLC6A2

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-4568971-A1 ANTAGONISTS OF 5-HYDROXYTRYPTAMINE RECEPTOR SUBTYPE 2B Vanderbilt University (US) 2025-06-18 EP disclosed
WO-2024036183-A1 ANTAGONISTS OF 5-HYDROXYTRYPTAMINE RECEPTOR SUBTYPE 2B VANDERBILT UNIVERSITY (US) 2024-02-15 WO disclosed