SCHEMBL9130555

SCHEMBL9130555

NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 3/20 0.67
▸ SLC6A2 P23975 2/20 0.67
▸ SLC6A3 Q01959 2/20 0.67
▸ PDE7A Q13946 4/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ SIRT1 Q96EB6 1/20 0.56
▸ ITGB2 P05107 1/20 0.52
▸ ICAM1 P05362 1/20 0.52
▸ ITGAL P20701 1/20 0.52
▸ MAPT P10636 5/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ LMNA P02545 3/20 0.50
▸ HTT P42858 1/20 0.50
▸ BCL2L1 Q07817 1/20 0.49
▸ CTSD P07339 1/20 0.49
▸ GSTP1 P09211 1/20 0.48

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
SCHEMBL2028311 0.85 SLC6A2 (0.68) SLC6A4SLC6A2SLC6A3PDE7ASMN1; SMN2
SCHEMBL9132817 0.84 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3PDE7ASMN1; SMN2
SCHEMBL3077375 0.82 SIRT1 (0.77) SLC6A4SLC6A2SLC6A3SIRT1MAPT
SCHEMBL31272173 0.82 PDE7A (0.78) SLC6A4SLC6A2SLC6A3PDE7ASMN1; SMN2
SCHEMBL875772 0.82 PDE7A (0.78) SLC6A4SLC6A2SLC6A3PDE7ASMN1; SMN2
SCHEMBL10766788 0.81 CTSD (0.65) SMN1; SMN2MAPTKDM4EALDH1A1MEN1
SCHEMBL115478 0.81 CTSD (0.65) SMN1; SMN2MAPTKDM4EALDH1A1MEN1
SCHEMBL1340717 0.80 SLC6A2 (0.70) SLC6A4SLC6A2SLC6A3PDE7ASMN1; SMN2
Hydrochloric Acid SCHEMBL10550781 0.79 CTSD (0.62) SMN1; SMN2MAPTKDM4EALDH1A1MEN1
Hydrochloric Acid SCHEMBL8025084 0.79 CTSD (0.62) SMN1; SMN2MAPTKDM4EALDH1A1MEN1

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
CN-1037681-C Tetrazole derivatives and pharmaceutical NIPPON SHINYAKU CO LTD (JP) 1998-03-11 — — CN disclosed
US-5399703-A Antiallergens NIPPON SHINYAKU COMPANY, LIMITED (JP) 1995-03-21 — — US disclosed
EP-0536400-A1 TETRAZOLE DERIVATIVE AND MEDICINE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1993-04-14 — — EP disclosed
CN-1063687-A Terazole derivatives and medicine NIPPON SHINYAKU CO LTD (JP) 1992-08-19 — — CN disclosed
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