SCHEMBL9541765

SCHEMBL9541765

CC(C)(C)CCn1ccc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.46
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
AR P10275 1/20 0.43
SLC6A2 P23975 1/20 0.43
CYP19A1 P11511 1/20 0.43
KRAS P01116 1/20 0.43
GLS O94925 1/20 0.42
MAPT P10636 3/20 0.40
CYP1A2 P05177 1/20 0.40
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL2941157 0.89 PLG (0.45) HTR7PLGPLAUARSLC6A2
SCHEMBL3355607 0.84 HTR7 (0.49) HTR7PLGPLAUARSLC6A2
SCHEMBL2479169 0.82 HTR7 (0.47) HTR7PLGPLAUSLC6A2CYP19A1
SCHEMBL30785020 0.81 MAPT (0.51) HTR7PLGPLAUARSLC6A2
SCHEMBL29167245 0.81 MAPT (0.51) HTR7PLGPLAUARSLC6A2
SCHEMBL27768896 0.81 KRAS (0.47) HTR7PLGPLAUARSLC6A2
SCHEMBL16371052 0.81 PLG (0.46) HTR7PLGPLAUSLC6A2CYP19A1
SCHEMBL30672928 0.81 PLG (0.46) HTR7PLGPLAUSLC6A2CYP19A1
SCHEMBL2420811 0.81 CYP1A2 (0.53) HTR7PLGPLAUARSLC6A2
SCHEMBL31735481 0.81 AR (0.50) HTR7PLGPLAUARSLC6A2

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
WO-1993010119-A1 HETEROCYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1993-05-27 WO disclosed
EP-0542497-A1 Heterocyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1993-05-19 EP disclosed