SCHEMBL7519455

SCHEMBL7519455

NCCN(/C=C/NCc1ccccn1)CCN

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.45
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 1/20 0.40
LIN28A Q9H9Z2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CHRM2 P08172 1/20 0.40
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 2/20 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
SCHEMBL7519467 1.00 HRH1 (0.45) HRH1MAOAMAOBSMN1; SMN2MAPT
SCHEMBL825190 0.83 SMN1; SMN2 (0.47) MAOAMAOBSMN1; SMN2MAPTLIN28A
SCHEMBL825188 0.83 SMN1; SMN2 (0.47) MAOAMAOBSMN1; SMN2MAPTLIN28A
SCHEMBL6866606 0.79 MAOA (0.57) HRH1MAOAMAOBSMN1; SMN2CHRM2
SCHEMBL6866612 0.79 MAOA (0.57) HRH1MAOAMAOBSMN1; SMN2CHRM2
SCHEMBL7523864 0.73 TDP1 (0.47) HRH1SMN1; SMN2MAPTLIN28ATDP1
SCHEMBL7523860 0.73 TDP1 (0.47) HRH1SMN1; SMN2MAPTLIN28ATDP1
SCHEMBL13373201 0.73 MAOA (0.50) MAOAMAOBSMN1; SMN2MAPTCHRM2
SCHEMBL11699253 0.71 SMN1; SMN2 (0.51) HRH1SMN1; SMN2MAPTLIN28ATDP1
SCHEMBL6375937 0.70 CHRM2 (0.57) HRH1MAOAMAOBSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020066542-A1 Transition metal complexes with polydentate ligands for enhancing the bleaching and delignifying effect of peroxo compounds DEGUSSA AG (DE) 2002-06-06 US disclosed
EP-1199402-A2 Process for delignifying and/or bleaching fibrous material Degussa AG (DE) 2002-04-24 EP disclosed