SCHEMBL2958249

SCHEMBL2958249

c1ccc(N2CCCN(c3ccccc3)N2c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 3/20 0.39
SIGMAR1 Q99720 2/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
ADRB1 P08588 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
RECQL P46063 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 2/20 0.37
MBTD1 Q05BQ5 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP3A4 P08684 2/20 0.36
GAA P10253 2/20 0.36

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
SCHEMBL2052260 0.87 SMN1; SMN2 (0.44) SMN1; SMN2KMT2ASIGMAR1MEN1NPC1
SCHEMBL28478724 0.79 KCNH2 (0.44) KMT2ASIGMAR1MEN1NPC1RAB9A
SCHEMBL10262716 0.76 GAA (0.41) SMN1; SMN2KMT2ASIGMAR1MEN1NPC1
SCHEMBL12996175 0.71 CYP3A4 (0.40) SMN1; SMN2KMT2ASIGMAR1MEN1NPC1
SCHEMBL569307 0.70 LMNA (0.61) SMN1; SMN2KMT2ASIGMAR1MEN1NPC1
SCHEMBL16924863 0.70 LMNA (0.61) SMN1; SMN2KMT2ASIGMAR1MEN1NPC1
SCHEMBL21223444 0.69 SMN1; SMN2 (0.37) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL577708 0.69 LMNA (0.58) SMN1; SMN2KMT2ASIGMAR1MEN1NPC1
SCHEMBL576673 0.69 LMNA (0.58) SMN1; SMN2KMT2ASIGMAR1MEN1NPC1
SCHEMBL14500221 0.69 LMNA (0.58) SMN1; SMN2KMT2ASIGMAR1MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750193-B2 Method for producing polyisobutenylphenols BASF AKTIENGESELLSCHAFT (DE) 2010-07-06 US disclosed
US-20090025284-A1 Method for producing polyisobutenylphenols BASF AKTIENGESELLSCHAFT (DE) 2009-01-29 US disclosed
EP-1713838-A2 METHOD FOR PRODUCING POLYISOBUTENYLPHENOLS BASF AKTIENGESELLSCHAFT (DE) 2006-10-25 EP disclosed
WO-2005073152-A2 METHOD FOR PRODUCING POLYISOBUTENYLPHENOLS BASF AKTIENGESELLSCHAFT (DE) 2005-08-11 WO disclosed
EP-0057653-B1 PROCESS FOR OBTAINING COMPOUNDS CONTAINING ISOCYANURIC GROUPS BY CATALYTIC CYCLOTRIMERIZATION OF ISOCYANATES BY MEANS OF COMPOUNDS HAVING AMINOSILYL GROUPS, ISOCYANURATES OBTAINED BY ELABORATING THE PROCESS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1985-04-17 EP disclosed
EP-0057653-A2 Process for obtaining compounds containing isocyanuric groups by catalytic cyclotrimerization of isocyanates by means of compounds having aminosilyl groups, isocyanurates obtained by elaborating the process RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1982-08-11 EP disclosed