SCHEMBL7293118

SCHEMBL7293118

O=CC(c1cccs1)n1cncc(NC(=O)OCc2ccccc2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.42
HDAC3 O15379 3/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC2 Q92769 3/20 0.42
POLB P06746 1/20 0.42
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CASP3 P42574 2/20 0.38
ROCK2 O75116 1/20 0.37
MAOB P27338 1/20 0.37
KAT2B Q92831 1/20 0.36
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL7293771 0.87 ELANE (0.43) ELANEHDAC3HDAC1HDAC2POLB
SCHEMBL7297125 0.86 NPC1 (0.44) ELANEPOLBNPC1RAB9ACASP3
SCHEMBL7292939 0.82 ELANE (0.46) ELANEPOLBNPC1RAB9ACASP3
SCHEMBL7294409 0.82 LMNA (0.44) ELANEPOLBNPC1RAB9ACASP3
SCHEMBL6805631 0.76 POLB (0.48) ELANEPOLBNPC1RAB9ACASP3
SCHEMBL7293123 0.74 HDAC3 (0.44) ELANEHDAC3HDAC1HDAC2POLB
SCHEMBL6556294 0.74 NPC1 (0.47) ELANEPOLBNPC1RAB9ACASP3
SCHEMBL7333984 0.73 ELANE (0.45) ELANEPOLBNPC1RAB9A
SCHEMBL7297829 0.72 NAMPT (0.48) ELANEPOLBNPC1RAB9ACASP3
SCHEMBL7294381 0.72 ELANE (0.47) ELANEPOLBNPC1RAB9ACASP3

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