SCHEMBL7331217

SCHEMBL7331217

N=C(N)c1ccc(OC(=O)C2CC2)c([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 9/20 0.60
▸ TMPRSS15 P98073 1/20 0.49
▸ MAPT P10636 4/20 0.46
▸ POLB P06746 2/20 0.45
▸ TP53 P04637 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ LMNA P02545 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ PARP1 P09874 1/20 0.40

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
SCHEMBL7320813 0.93 PRSS1 (0.53) PRSS1TMPRSS15MAPTPOLBTP53
SCHEMBL7319750 0.81 PRSS1 (0.66) PRSS1TMPRSS15MAPTPOLBLMNA
SCHEMBL11829181 0.80 KMT2A (0.42) MAPTHTTALDH1A1SMN1; SMN2
SCHEMBL29246356 0.80 SMN1; SMN2 (0.41) MAPTALDH1A1SMN1; SMN2
SCHEMBL9027345 0.79 RAB9A (0.54) MAPTPOLBHTTALDH1A1SMN1; SMN2
SCHEMBL7330416 0.77 PRSS1 (0.61) PRSS1TMPRSS15MAPTLMNAALDH1A1
SCHEMBL10804963 0.76 MEN1 (0.48) MAPTHTTLMNAALDH1A1SMN1; SMN2
SCHEMBL7329837 0.76 PRSS1 (0.63) PRSS1TMPRSS15MAPTPOLBHTT
SCHEMBL8315096 0.76 MAPT (0.51) MAPTPOLBTP53HTTLMNA
SCHEMBL7329001 0.75 PRSS1 (0.59) PRSS1TMPRSS15MAPTPOLBHTT

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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