SCHEMBL8713326

SCHEMBL8713326

CCN(c1ccccc1OC)S(=O)(=O)c1cccc([N+](=O)[O-])c1N1CCC(C(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 3/20 0.44
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 6/20 0.41
BLM P54132 1/20 0.41
HTT P42858 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
UBE2N P61088 1/20 0.40
ESR1 P03372 1/20 0.39
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
SMN1; SMN2 Q16637 2/20 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
SCHEMBL8714142 0.82 HSD11B1 (0.46) HSD11B1KMT2ALMNACYP2D6CYP2C19
SCHEMBL8712047 0.79 HSD11B1 (0.48) HSD11B1KMT2ALMNACYP2D6CYP2C19
SCHEMBL8711712 0.78 HSD11B1 (0.46) HSD11B1KMT2ALMNACYP2D6CYP2C19
SCHEMBL8712265 0.78 HSD11B1 (0.45) HSD11B1KMT2ALMNACYP2D6CYP2C19
SCHEMBL8714834 0.77 HSD11B1 (0.46) HSD11B1KMT2ALMNACYP2D6CYP2C19
SCHEMBL8715332 0.74 HSD11B1 (0.55) HSD11B1KMT2ALMNACYP2D6CYP2C19
SCHEMBL8711959 0.74 RXFP1 (0.42) HSD11B1KMT2ALMNACYP2D6CYP2C19
SCHEMBL8714197 0.73 HSD11B1 (0.43) HSD11B1KMT2ALMNACYP2D6CYP2C19
SCHEMBL9229216 0.73 HSD11B1 (0.49) HSD11B1KMT2ALMNACYP2D6CYP2C19
SCHEMBL9231944 0.72 CYP2D6 (0.54) HSD11B1KMT2ALMNACYP2D6CYP2C19

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
US-5728835-A HYPOTENSIVE AGENTS; ANTIISCHEMIC AGENTS TOA EIYO, LTD. (JP) 1998-03-17 US disclosed