SCHEMBL7320820

SCHEMBL7320820

CS(=O)(=O)OC1(C(=O)Oc2ccc(C(=N)N)cc2[N+](=O)[O-])CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 10/20 0.52
▸ TMPRSS15 P98073 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ VCAM1 P19320 1/20 0.39
▸ G6PD P11413 1/20 0.38
▸ PDK1 Q15118 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL7329837 0.82 PRSS1 (0.63) PRSS1TMPRSS15ALDH1A1LMNAMAPT
SCHEMBL7329001 0.79 PRSS1 (0.59) PRSS1TMPRSS15ALDH1A1LMNAMAPT
SCHEMBL7319750 0.77 PRSS1 (0.66) PRSS1TMPRSS15ALDH1A1LMNAMAPT
SCHEMBL7320813 0.76 PRSS1 (0.53) PRSS1TMPRSS15ALDH1A1LMNAMAPT
SCHEMBL7328928 0.75 PRSS1 (0.55) PRSS1TMPRSS15ALDH1A1MAPTSMN1; SMN2
SCHEMBL7331217 0.72 PRSS1 (0.60) PRSS1TMPRSS15ALDH1A1LMNAMAPT
SCHEMBL7331050 0.72 PRSS1 (0.51) PRSS1TMPRSS15ALDH1A1LMNAMAPT
SCHEMBL7330416 0.71 PRSS1 (0.61) PRSS1TMPRSS15ALDH1A1LMNAMAPT
SCHEMBL7329834 0.69 PRSS1 (0.56) PRSS1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL7325158 0.68 PRSS1 (0.56) PRSS1TMPRSS15ALDH1A1LMNAMAPT

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
US-4570006-A ANTITHROMBIN; ENZYME AND HORMONE INHIBITORS TORII & CO. LTD. (JP) 1986-02-11 — — US disclosed
US-4514416-A Amidine compound, process for producing same and anti-complement agent comprising same TORII & CO. LTD. (JP) 1985-04-30 — — US disclosed
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