SCHEMBL368087

SCHEMBL368087

C=CCNc1ncnc(OC)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.59
SMN1; SMN2 Q16637 5/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 4/20 0.45
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.45
LMNA P02545 2/20 0.43
CREBBP Q92793 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 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
SCHEMBL369672 0.82 MAPT (0.44) GAASMN1; SMN2MEN1KMT2AHTT
SCHEMBL4930897 0.80 GAA (0.80) GAASMN1; SMN2MEN1KMT2AHTT
SCHEMBL10921913 0.80 GAA (0.80) GAASMN1; SMN2MEN1KMT2AHTT
SCHEMBL10420953 0.75 GAA (1.00) GAASMN1; SMN2MEN1KMT2AHTT
SCHEMBL11787512 0.74 MAPT (0.39) GAASMN1; SMN2MEN1KMT2AHTT
SCHEMBL7741690 0.74 ALDH1A1 (0.50) GAASMN1; SMN2MEN1KMT2AHTT
SCHEMBL10866329 0.74 MAPT (0.39) GAASMN1; SMN2MEN1KMT2AHTT
SCHEMBL11058935 0.74 MAPT (0.39) GAASMN1; SMN2MEN1KMT2AHTT
SCHEMBL727149 0.74 SMN1; SMN2 (0.45) GAASMN1; SMN2MEN1KMT2AHTT
SCHEMBL11685193 0.73 CYP1A2 (0.47) HTTMAPTTSHRLMNACREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2407460-B1 N-TRIAZINYLAMMONIUM SALTS, A METHOD OF PREPARATION AND USES THEREOF POLITECHNIKA LODZKA (PL) 2013-07-17 EP disclosed
EP-2407460-A1 N-Triazinylammonium salts, a method of preparation and uses thereof Politechnika Lódzka (PL) 2012-01-18 EP disclosed
US-20100292469-A1 PROCESS FOR THE PREPARATION OF N-TRIAZINYLAMMONIUM SALTS ITALVELLUTI S.P.A. (IT) 2010-11-18 US disclosed
EP-1951691-A1 PROCESS FOR THE PREPARATION OF N-TRIAZINYLAMMONIUM SALTS Italvelluti S.p.A. (IT) 2008-08-06 EP disclosed
WO-2007051496-A1 PROCESS FOR THE PREPARATION OF N-TRIAZINYLAMMONIUM SALTS ITALVELLUTI S.P.A. (IT) 2007-05-10 WO disclosed