SCHEMBL8476269

SCHEMBL8476269

Cc1cc(OCCCO)cc(OS(=O)(=O)c2cccc3nsnc23)c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 16/20 0.51
▸ PRSS2 P07478 3/20 0.46
▸ CTRC Q99895 3/20 0.46
▸ TP53 P04637 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ LMNA P02545 1/20 0.43

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
SCHEMBL5673341 0.87 F2 (0.50) F2CTRCTP53MAPT
SCHEMBL5676152 0.83 ALDH1A1 (0.48) TP53MAPTLMNA
SCHEMBL8476274 0.80 ALDH1A1 (0.44) TP53MAPTLMNA
SCHEMBL5673644 0.79 F2 (0.70) F2PRSS2CTRC
SCHEMBL8476636 0.78 GLA (0.43) TP53MAPTLMNA
SCHEMBL5674442 0.77 F2 (0.70) F2PRSS2CTRC
SCHEMBL5674392 0.77 F2 (0.66) F2PRSS2CTRC
SCHEMBL5674291 0.77 F2 (0.74) F2PRSS2CTRC
Nitric Acid SCHEMBL5675984 0.76 F2 (0.43) F2PRSS2CTRC
SCHEMBL5676136 0.76 F2 (0.72) F2PRSS2CTRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5891909-A Amidinohydrazones as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-04-06 — — US disclosed
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