SCHEMBL7276853

SCHEMBL7276853

O=C(O)Cn1c(-c2cccs2)ccc(NC(=O)OCc2ccccc2)c1=O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC2 Q92769 2/20 0.53
APEX1 P27695 1/20 0.50
ELANE P08246 13/20 0.49
CTRC Q99895 3/20 0.49
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
CASP1 P29466 1/20 0.45

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
SCHEMBL7284545 0.88 HDAC3 (0.52) HDAC3HDAC1HDAC2ELANECTRC
SCHEMBL7274678 0.85 HDAC3 (0.49) HDAC3HDAC1HDAC2ELANECTRC
SCHEMBL7276488 0.85 ELANE (0.64) ELANECTRCCASP1
SCHEMBL6556446 0.83 ELANE (0.69) HDAC3HDAC1HDAC2ELANE
SCHEMBL7284774 0.81 ELANE (0.60) ELANECTRC
SCHEMBL21685578 0.81 NPC1 (0.50) ELANECTRCCASP1
SCHEMBL8536815 0.80 ELANE (0.67) ELANECTRCCASP1
SCHEMBL8536676 0.80 ELANE (0.59) APEX1ELANECTRCKDM4EALDH1A1
SCHEMBL7283124 0.79 ELANE (0.49) ELANECTRCCASP1
SCHEMBL2798490 0.79 ELANE (0.64) ELANECTRCCASP1

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-0509769-B1 Heterocyclic amides having HLE inhibiting activity ZENECA LTD (GB) 1996-09-11 EP disclosed
US-5521179-A Heterocyclic amides ZENECA LIMITED (GB) 1996-05-28 US disclosed
EP-0509769-A2 Heterocyclic amides having HLE inhibiting activity ZENECA LIMITED (GB) 1992-10-21 EP disclosed