SCHEMBL10891736

SCHEMBL10891736

CNS(=O)(=O)c1cc(N)ccc1NCCCN(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 2/20 0.40
METAP2 P50579 3/20 0.40
BRCA1 P38398 1/20 0.39
HIF1A Q16665 1/20 0.39
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ALOX15 P16050 1/20 0.38
BRD4 O60885 1/20 0.37
ATAD2 Q6PL18 1/20 0.37
KDM4E B2RXH2 2/20 0.36
TOP2B Q02880 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
FERMT2 Q96AC1 1/20 0.36
SFRP1 Q8N474 1/20 0.36
RAPGEF4 Q8WZA2 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL10894742 0.90 GAA (0.52) SMN1; SMN2GAAMETAP2BRCA1HIF1A
SCHEMBL10889054 0.87 METAP2 (0.45) GAAMETAP2ALDH1A1MAPT
SCHEMBL10892465 0.86 SMN1; SMN2 (0.55) SMN1; SMN2GAAMETAP2BRCA1HIF1A
SCHEMBL10892269 0.85 SMN1; SMN2 (0.48) SMN1; SMN2GAAMETAP2BRCA1HIF1A
SCHEMBL10890812 0.84 GAA (0.49) SMN1; SMN2GAAMETAP2CA12CA2
SCHEMBL10894845 0.83 CYP2D6 (0.47) SMN1; SMN2GAAMETAP2BRCA1HIF1A
SCHEMBL10894158 0.82 GAA (0.50) SMN1; SMN2GAACA12CA2CA9
SCHEMBL10894138 0.82 SMN1; SMN2 (0.46) SMN1; SMN2GAAMETAP2BRCA1HIF1A
SCHEMBL10893997 0.82 ALDH1A1 (0.40) SMN1; SMN2GAAMETAP2BRCA1HIF1A
SCHEMBL10891189 0.82 GAA (0.52) SMN1; SMN2GAACA12CA2CA9

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-4588810-A Basic triphendioxazine dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1986-05-13 US disclosed
EP-0148390-A2 Basic triphendioxazine dyes, their manufacture and their use BAYER AG (DE) 1985-07-17 EP disclosed