SCHEMBL30764997

SCHEMBL30764997

CSCn1ccc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.48
PLAU P00749 1/20 0.48
KRAS P01116 1/20 0.47
SLC6A2 P23975 1/20 0.45
HTR7 P34969 1/20 0.43
AR P10275 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP19A1 P11511 1/20 0.42
GLS O94925 1/20 0.41
PPARG P37231 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL2420811 0.83 CYP1A2 (0.53) PLGPLAUKRASSLC6A2HTR7
SCHEMBL12475322 0.83 PLG (0.51) PLGPLAUKRASSLC6A2HTR7
SCHEMBL5591112 0.82 KRAS (0.52) PLGPLAUKRASSLC6A2HTR7
SCHEMBL13299389 0.81 KRAS (0.54) PLGPLAUKRASSLC6A2HTR7
SCHEMBL30785020 0.81 MAPT (0.51) PLGPLAUKRASSLC6A2HTR7
SCHEMBL3355607 0.81 HTR7 (0.49) PLGPLAUKRASSLC6A2HTR7
SCHEMBL29167245 0.81 MAPT (0.51) PLGPLAUKRASSLC6A2HTR7
SCHEMBL20986010 0.80 AR (0.52) PLGPLAUKRASSLC6A2HTR7
SCHEMBL30764979 0.80 AR (0.52) PLGPLAUKRASSLC6A2HTR7
SCHEMBL3184801 0.79 KRAS (0.55) PLGPLAUKRASSLC6A2AR

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