SCHEMBL9149259

SCHEMBL9149259

O=C(CCCc1cn(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc12)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFSF11 O14788 7/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
TNF P01375 2/20 0.45
HTR6 P50406 6/20 0.44
ALDH1A1 P00352 1/20 0.43
IDE P14735 2/20 0.42
DRD2 P14416 2/20 0.42
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR1F P30939 1/20 0.42

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
SCHEMBL9150550 0.87 TNFSF11 (0.56) TNFSF11CA2CA9PSEN1PSEN2
SCHEMBL9149099 0.81 KMT2A (0.49) MEN1KMT2AALDH1A1
SCHEMBL9154069 0.78 KMT2A (0.48) MEN1KMT2AALDH1A1
SCHEMBL9152137 0.78 KMT2A (0.48) MEN1KMT2AALDH1A1
SCHEMBL9152716 0.75 KMT2A (0.55) MEN1KMT2AALDH1A1
SCHEMBL9615051 0.74 KMT2A (0.51) MEN1KMT2AALDH1A1
SCHEMBL9150381 0.72 KMT2A (0.47) MEN1KMT2AHTR6ALDH1A1HTR1A
SCHEMBL9333981 0.72 MEN1 (0.51) MEN1KMT2AALDH1A1
SCHEMBL9153167 0.72 HTR6 (0.57) HTR6IDEDRD2HTR1AHTR1D
SCHEMBL22694071 0.71 ALDH1A1 (0.66) MEN1KMT2AALDH1A1

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