SCHEMBL11815209

SCHEMBL11815209

O=C(OCC(Cl)(Cl)Cl)C(NC=S)P(=O)(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ KLK1 P06870 2/20 0.37
▸ PLAU P00749 3/20 0.35
▸ F2 P00734 2/20 0.35
▸ PLAT P00750 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ KLK8 O60259 2/20 0.33
▸ F10 P00742 2/20 0.33
▸ PLG P00747 2/20 0.33
▸ KLK4 Q9Y5K2 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ DPP7 Q9UHL4 1/20 0.33
▸ KLK2 P20151 1/20 0.33

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
SCHEMBL11400014 0.82 ELANE (0.42) ELANETP53KLK1PLAUF2
SCHEMBL11390684 0.82 ELANE (0.45) ELANETP53KLK1PLAUF2
SCHEMBL11388126 0.78 NPSR1 (0.42) ELANETP53KLK1PLAUF2
SCHEMBL10458711 0.77 ANPEP (0.41) ELANETP53KLK1PLAUF2
SCHEMBL11798198 0.76 CYP3A4 (0.40) LMNAALDH1A1GAA
SCHEMBL11795463 0.74 RAB9A (0.43) ELANEKLK1PLAUF2PLAT
SCHEMBL6996344 0.66 CHRM1 (0.51) TP53KMT2ALMNAALDH1A1
SCHEMBL11432653 0.63 SRC (0.48) PLAUMEN1KMT2ALMNARECQL
SCHEMBL575458 0.63 ATM (0.41) MEN1KMT2AALDH1A1GAA
SCHEMBL11390682 0.62 ELANE (0.50) ELANETP53KLK1PLAUF2

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-3947413-A ANTIBIOTICS MERCK & CO., INC. (US) 1976-03-30 — — US disclosed
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