SCHEMBL7782299

SCHEMBL7782299

NN=c1[nH]c2ccccc2n(-c2ccccc2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.45
PDE7B Q9NP56 2/20 0.45
MAPK1 P28482 1/20 0.41
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MEN1 O00255 2/20 0.40
MPI P34949 1/20 0.40
LMNA P02545 1/20 0.40
PGR P06401 2/20 0.40
KDM4E B2RXH2 3/20 0.39
ATM Q13315 2/20 0.39
ALDH1A1 P00352 4/20 0.39
GAA P10253 2/20 0.39
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
DAO P14920 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
MAPK8 P45983 1/20 0.37
AURKA O14965 1/20 0.37
CDC25B P30305 1/20 0.37

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
SCHEMBL7783672 0.88 LMNA (0.43) KMT2AL3MBTL1MEN1MPILMNA
SCHEMBL30910102 0.78 PDE7A (0.51) PDE7APDE7BMAPK1KMT2AL3MBTL1
SCHEMBL3150851 0.78 PDE7A (0.51) PDE7APDE7BMAPK1KMT2AL3MBTL1
SCHEMBL7782330 0.78 PSMB8 (0.47) MAPK1KMT2AMEN1LMNAALDH1A1
SCHEMBL699273 0.74 LMNA (0.65) PDE7APDE7BKMT2AL3MBTL1MEN1
SCHEMBL29367625 0.74 LMNA (0.65) PDE7APDE7BKMT2AL3MBTL1MEN1
SCHEMBL5667519 0.74 TSHR (0.42) PDE7APDE7BKMT2AL3MBTL1MEN1
SCHEMBL5361973 0.74 TSHR (0.42) PDE7APDE7BKMT2AL3MBTL1MEN1
SCHEMBL9436260 0.69 ALDH1A1 (0.41) PDE7APDE7BKMT2AL3MBTL1MEN1
SCHEMBL258865 0.67 PDE7A (0.68) PDE7APDE7BKMT2AL3MBTL1MEN1

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-0809635-B1 ALPHA-SUBSTITUTED HYDRAZIDES HAVING CALPAIN INHIBITORY ACTIVITY WARNER LAMBERT CO (US) 2001-10-04 EP claimed
EP-0809635-A1 ALPHA-SUBSTITUTED HYDRAZIDES HAVING CALPAIN INHIBITORY ACTIVITY WARNER-LAMBERT COMPANY (US) 1997-12-03 EP claimed
US-5679680-A α-substituted hydrazides having calpain inhibitory activity WARNER-LAMBERT COMPANY (US) 1997-10-21 US claimed
WO-1996025403-A1 α-SUBSTITUTED HYDRAZIDES HAVING CALPAIN INHIBITORY ACTIVITY WARNER-LAMBERT COMPANY (US) 1996-08-22 WO claimed
EP-0809635-B1 ALPHA-SUBSTITUTED HYDRAZIDES HAVING CALPAIN INHIBITORY ACTIVITY WARNER LAMBERT CO (US) 2001-10-04 EP disclosed
EP-0809635-A1 ALPHA-SUBSTITUTED HYDRAZIDES HAVING CALPAIN INHIBITORY ACTIVITY WARNER-LAMBERT COMPANY (US) 1997-12-03 EP disclosed
US-5679680-A α-substituted hydrazides having calpain inhibitory activity WARNER-LAMBERT COMPANY (US) 1997-10-21 US disclosed
WO-1996025403-A1 α-SUBSTITUTED HYDRAZIDES HAVING CALPAIN INHIBITORY ACTIVITY WARNER-LAMBERT COMPANY (US) 1996-08-22 WO disclosed