SCHEMBL9150550

SCHEMBL9150550

O=C(O)CCCc1cn(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNFSF11 O14788 7/20 0.56
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
PSEN1 P49768 1/20 0.51
PSEN2 P49810 1/20 0.51
APH1B Q8WW43 1/20 0.51
NCSTN Q92542 1/20 0.51
APH1A Q96BI3 1/20 0.51
PSENEN Q9NZ42 1/20 0.51
HTR6 P50406 7/20 0.50
TNF P01375 2/20 0.49
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
HTR1F P30939 1/20 0.47
HTR7 P34969 1/20 0.47
DRD3 P35462 1/20 0.47
IDE P14735 3/20 0.47

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
SCHEMBL9149259 0.87 TNFSF11 (0.50) TNFSF11CA2CA9PSEN1PSEN2
SCHEMBL9153167 0.83 HTR6 (0.57) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL3033927 0.78 HTR6 (0.71) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL351630 0.78 HTR6 (0.57) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL9152262 0.78 KMT2A (0.59)
SCHEMBL29169610 0.75 HTR6 (0.57) CA2CA9HTR6HTR1ADRD2
SCHEMBL9152646 0.75 IDE (0.43) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL27662543 0.75 PPARG (0.54) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL947245 0.74 HTR6 (0.51) TNFSF11CA2CA9HTR6HTR1A
SCHEMBL352748 0.73 HTR6 (0.65) HTR6HTR1ADRD2HTR1DHTR1B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0516849-B1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 1995-01-25 EP disclosed
US-5283251-A Testosterone 5a-reductase inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-02-01 US disclosed
EP-0516849-A1 INDOLE DERIVATIVES. FUJISAWA PHARMACEUTICAL CO (JP) 1992-12-09 EP disclosed
WO-1991013060-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-09-05 WO disclosed