SCHEMBL8466516

SCHEMBL8466516

CC(O)CNc1nc(NCC(C)O)nc(NCC(C)O)n1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
GBA1 P04062 1/20 0.40
IDH2 P48735 1/20 0.40
CDK1 P06493 2/20 0.38
CDK2 P24941 1/20 0.38
FLT3 P36888 1/20 0.38
IDH1 O75874 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
SCHEMBL9635149 0.89 GBA1 (0.39) ESR1SMN1; SMN2KDM4EALDH1A1CSNK2A2
SCHEMBL8467198 0.84 CSNK2A2 (0.40) ESR1SMN1; SMN2KDM4EALDH1A1CSNK2A2
SCHEMBL8463123 0.84 ESR1 (0.38) ESR1SMN1; SMN2KDM4EALDH1A1CSNK2A2
SCHEMBL9357104 0.84 LMNA (0.48) ESR1SMN1; SMN2KDM4EALDH1A1CSNK2A2
SCHEMBL13679051 0.83 ESR1 (0.71) ESR1SMN1; SMN2KDM4EALDH1A1
SCHEMBL8468515 0.82 IDH1 (0.42) ESR1SMN1; SMN2KDM4EALDH1A1GBA1
SCHEMBL8853189 0.82 IDH2 (0.41) ESR1SMN1; SMN2KDM4EALDH1A1CSNK2A2
SCHEMBL28623661 0.81 ESR1 (0.44) ESR1SMN1; SMN2KDM4EALDH1A1GBA1
SCHEMBL28623660 0.81 ESR1 (0.44) ESR1SMN1; SMN2KDM4EALDH1A1GBA1
SCHEMBL8465540 0.78 IDH2 (0.39) GBA1IDH2FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0178611-B1 PROCESS FOR THE PREPARATION OF N,N',N''-TRIS(2-HYDROXYPROPYL) MELAMINE BASF Aktiengesellschaft (DE) 1992-06-17 EP claimed
US-4618676-A BY-PRODUCT INHIBITON USING AN ACID CATALYST; STOICHIOMETRY BASF AKTIENGESELLSCHAFT (DE) 1986-10-21 US claimed
EP-0178611-A2 Process for the preparation of N,N',N''-tris(2-hydroxypropyl) melamine BASF Aktiengesellschaft (DE) 1986-04-23 EP claimed
EP-2774922-A1 Method for obtaining a functionalized triazine compound and the triazine compound obtained by said method Borealis Agrolinz Melamine GmbH (AT) 2014-09-10 EP disclosed
US-5981612-A Production of flameproofed, rigid, isocyanate-based foams BASF AKTIENGESELLSCHAFT (DE) 1999-11-09 US disclosed
EP-0719807-B1 Process for the preparation of flame-proofed rigid foams based on isocyanate BASF SCHWARZHEIDE GMBH (DE) 1999-11-03 EP disclosed
EP-0719807-A2 Process for the preparation of flame-proofed rigid foams based on isocyanate BASF SCHWARZHEIDE GmbH (DE) 1996-07-03 EP disclosed
EP-0178611-B1 PROCESS FOR THE PREPARATION OF N,N',N''-TRIS(2-HYDROXYPROPYL) MELAMINE BASF Aktiengesellschaft (DE) 1992-06-17 EP disclosed
EP-0178611-B1 PROCESS FOR THE PREPARATION OF N,N',N''-TRIS(2-HYDROXYPROPYL) MELAMINE BASF Aktiengesellschaft (DE) 1992-06-17 EP disclosed
US-4618676-A BY-PRODUCT INHIBITON USING AN ACID CATALYST; STOICHIOMETRY BASF AKTIENGESELLSCHAFT (DE) 1986-10-21 US disclosed
US-4618676-A BY-PRODUCT INHIBITON USING AN ACID CATALYST; STOICHIOMETRY BASF AKTIENGESELLSCHAFT (DE) 1986-10-21 US disclosed
US-4618676-A BY-PRODUCT INHIBITON USING AN ACID CATALYST; STOICHIOMETRY BASF AKTIENGESELLSCHAFT (DE) 1986-10-21 US disclosed
EP-0178611-A2 Process for the preparation of N,N',N''-tris(2-hydroxypropyl) melamine BASF Aktiengesellschaft (DE) 1986-04-23 EP disclosed
EP-0178611-A2 Process for the preparation of N,N',N''-tris(2-hydroxypropyl) melamine BASF Aktiengesellschaft (DE) 1986-04-23 EP disclosed
EP-0178611-A2 Process for the preparation of N,N',N''-tris(2-hydroxypropyl) melamine BASF Aktiengesellschaft (DE) 1986-04-23 EP disclosed