SCHEMBL7276461

SCHEMBL7276461

O=C(O)c1ccc(-c2ccccc2Cl)[nH]c1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.63
ALDH1A1 P00352 5/20 0.47
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
KDM5A P29375 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
GUSB P08236 1/20 0.41
ALPL P05186 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NAPRT Q6XQN6 1/20 0.40

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
SCHEMBL7276114 0.80 ALDH1A1 (0.50) KDM4EALDH1A1SMN1; SMN2KMT2ATSHR
SCHEMBL9754384 0.78 KDM4E (0.59) KDM4EALDH1A1GAASMN1; SMN2RXFP1
SCHEMBL4074628 0.78 KDM4E (1.00) KDM4EALDH1A1GAASMN1; SMN2RXFP1
SCHEMBL11536638 0.76 KDM4E (0.56) KDM4EALDH1A1GAASMN1; SMN2RXFP1
SCHEMBL25148779 0.75 KDM4E (0.55) KDM4EALDH1A1GAASMN1; SMN2RXFP1
SCHEMBL11246744 0.75 KDM4E (0.55) KDM4EALDH1A1GAASMN1; SMN2RXFP1
SCHEMBL7368255 0.75 KDM4E (0.51) KDM4EALDH1A1GAASMN1; SMN2RXFP1
SCHEMBL4429820 0.75 KDM4E (0.93) KDM4EALDH1A1GAASMN1; SMN2RXFP1
SCHEMBL9754429 0.74 KDM4E (0.58) KDM4EALDH1A1GAASMN1; SMN2RXFP1
SCHEMBL17844580 0.73 KDM4E (0.72) KDM4EALDH1A1GAASMN1; SMN2RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0636142-B1 LACTAM PEPTIDES HAVING HLE INHIBITING ACTIVITY ZENECA LTD (GB) 1998-06-17 EP disclosed
US-5721222-A Heterocyclic ketones ZENECA LIMITED (GB) 1998-02-24 US disclosed
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
US-5486529-A Certain pyridyl ketones for treating diseases involving leukocyte elastase ZENECA LIMITED (GB) 1996-01-23 US disclosed
EP-0636142-A1 LACTAM PEPTIDES HAVING HLE INHIBITING ACTIVITY ZENECA LIMITED (GB) 1995-02-01 EP disclosed
WO-1993021209-A1 LACTAM PEPTIDES HAVING HLE INHIBITING ACTIVITY ZENECA LIMITED (GB) 1993-10-28 WO disclosed
EP-0509769-A2 Heterocyclic amides having HLE inhibiting activity ZENECA LIMITED (GB) 1992-10-21 EP disclosed