SCHEMBL7296453

SCHEMBL7296453

COC(Cn1c(-c2cccs2)ncc(NC(=O)OCc2ccccc2)c1=O)OC

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 17/20 0.64
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
P2RX3 P56373 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 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
SCHEMBL6556302 0.91 ELANE (0.62) ELANEHDAC3HDAC1HDAC2
SCHEMBL6086170 0.87 ELANE (0.62) ELANEP2RX3NPC1RAB9A
SCHEMBL6556446 0.86 ELANE (0.69) ELANEHDAC3HDAC1HDAC2
SCHEMBL6557614 0.84 ELANE (0.62) ELANEHDAC3HDAC1HDAC2P2RX3
SCHEMBL7274678 0.84 HDAC3 (0.49) ELANEHDAC3HDAC1HDAC2NPC1
SCHEMBL7301356 0.82 ELANE (0.64) ELANEP2RX3
SCHEMBL8401271 0.81 ELANE (0.58) ELANEHDAC3HDAC1HDAC2P2RX3
SCHEMBL7863330 0.80 ELANE (0.70) ELANE
SCHEMBL7208083 0.79 ELANE (0.68) ELANE
SCHEMBL9584587 0.78 ELANE (0.79) ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0528633-B1 Pyrimidinyl acetamides as elastase inhibitors ZENECA LTD (GB) 2000-10-18 EP disclosed
US-5254558-A Substituted 1,3-diazines as leukocyte elastase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-19 US disclosed
EP-0528633-A1 Pyrimidinyl acetamides as elastase inhibitors ZENECA LIMITED (GB) 1993-02-24 EP disclosed