SCHEMBL8064436

SCHEMBL8064436

N#Cc1ccc(-c2ccccc2O)[nH]c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 5/20 0.56
BIRC5 O15392 2/20 0.56
MDM2 Q00987 1/20 0.47
BCL2L1 Q07817 1/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
GLA P06280 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
PGR P06401 2/20 0.42
AR P10275 2/20 0.42
UPP1 Q16831 1/20 0.42
ESR2 Q92731 1/20 0.41
GALR3 O60755 1/20 0.41
HPGD P15428 1/20 0.41
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 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
SCHEMBL9529006 0.81 MDM2 (0.47) PIM1BIRC5MDM2KDM4EALDH1A1
SCHEMBL3479396 0.81 KDM4E (0.53) PIM1MDM2KDM4EALDH1A1GAA
SCHEMBL9754547 0.78 MCL1 (0.55) PIM1MDM2KDM4EALDH1A1GAA
SCHEMBL7649493 0.77 KDM4E (0.56) PIM1MDM2KDM4EALDH1A1GAA
SCHEMBL4474609 0.76 MDM2 (0.62) PIM1BIRC5MDM2KDM4EALDH1A1
SCHEMBL8962806 0.74 IDO1 (0.56) PIM1BIRC5BCL2L1KDM4EALDH1A1
SCHEMBL7319990 0.74 KDM4E (0.67) PIM1BIRC5KDM4EALDH1A1GAA
SCHEMBL9536884 0.74 KDM4E (0.46) PIM1MDM2KDM4EALDH1A1GAA
SCHEMBL7646365 0.74 PDE5A (0.50) MDM2KDM4EALDH1A1GAAGLA
SCHEMBL9701575 0.73 MDM2 (0.59) PIM1BIRC5MDM2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6046216-A USEFUL TO INHIBIT THE GROWTH OF NEOPLASTIC CELLS. CELL PATHWAYS, INC. (US) 2000-04-04 US disclosed
EP-0347027-B1 Phenylpyridone derivatives,processes for their preparation and pharmaceutical compositions containing them. SMITH KLINE FRENCH LAB (GB) 1994-08-03 EP disclosed
US-5254571-A Bronchodilators, antiallergens SMITH KLINE & FRENCH LABORATORIES LTD. (GB) 1993-10-19 US disclosed
EP-0347027-A2 Phenylpyridone derivatives,processes for their preparation and pharmaceutical compositions containing them. SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-12-20 EP disclosed