SCHEMBL8465809

SCHEMBL8465809

Nc1nc(N)nc(N)n1.Nc1nc(N)nc(N)n1.Nc1nc(N)nc(N)n1.Nc1nc(N)nc(N)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.50
LMNA P02545 2/20 0.44
ADORA2A P29274 2/20 0.42
ADORA1 P30542 2/20 0.42
POLB P06746 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2B P29275 1/20 0.42
CYP1A2 P05177 1/20 0.40
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
KDM4E B2RXH2 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALOX15 P16050 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTR2B P41595 1/20 0.32

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
SCHEMBL25853 1.00
SCHEMBL9579151 1.00 CASP1 (0.50) CASP1LMNAADORA2AADORA1POLB
SCHEMBL8356506 1.00 CASP1 (0.50) CASP1LMNAADORA2AADORA1POLB
SCHEMBL29876207 1.00
SCHEMBL9583239 1.00 CASP1 (0.50) CASP1LMNAADORA2AADORA1POLB
SCHEMBL175612 1.00 CASP1 (0.50) CASP1LMNAADORA2AADORA1POLB
SCHEMBL29485005 1.00
SCHEMBL29900242 1.00
SCHEMBL15648403 0.94 CASP1 (0.47) CASP1LMNAADORA2AADORA1POLB
Hydrochloric Acid SCHEMBL3338896 0.94 CASP1 (0.47) CASP1LMNAADORA2AADORA1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2688966-A1 A CHEMICAL MECHANICAL POLISHING (CMP) COMPOSITION COMPRISING TWO TYPES OF CORROSION INHIBITORS BASF SE (DE) 2014-01-29 EP disclosed
WO-2012127399-A1 A CHEMICAL MECHANICAL POLISHING (CMP) COMPOSITION COMPRISING TWO TYPES OF CORROSION INHIBITORS BASF SE (DE) 2012-09-27 WO disclosed
EP-0950074-A1 PROCESS FOR THE PREPARATION OF POLYMER DISPERSIONS VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 1999-10-20 EP disclosed
WO-1998029477-A1 PROCESS FOR THE PREPARATION OF POLYMER DISPERSIONS VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 1998-07-09 WO disclosed
US-5532027-A FORMING MULTIPLE COATS OF FINISHES ON A SUBSTRATE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-07-02 US disclosed
US-5258457-A MIXING UNSATURATED POLYMER WITH AN AMINO RESIN IN THE PRESENCE OF A PROTON-DONATING ACID CATALYST SHELL OIL COMPANY (US) 1993-11-02 US disclosed
US-5124405-A Crosslinking with amino resins in presence of acid catalyst SHELL OIL COMPANY (US) 1992-06-23 US disclosed