SCHEMBL10895441

SCHEMBL10895441

CN(C)CCCNc1ccc(N)cc1S(=O)(=O)N(CCO)CCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
BRCA1 P38398 1/20 0.40
HIF1A Q16665 1/20 0.40
METAP2 P50579 3/20 0.38
KDM4E B2RXH2 2/20 0.37
TOP2B Q02880 2/20 0.37
BDKRB1 P46663 3/20 0.36
GAA P10253 2/20 0.36
BRD4 O60885 1/20 0.35
ATAD2 Q6PL18 1/20 0.35
BDKRB2 P30411 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
CASP6 P55212 1/20 0.34
KMT2A Q03164 1/20 0.34
ELAVL1 Q15717 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
SCHEMBL10894138 0.89 SMN1; SMN2 (0.46) SMN1; SMN2BRCA1HIF1AMETAP2KDM4E
Hydrochloric Acid SCHEMBL10889858 0.88 SMN1; SMN2 (0.45) SMN1; SMN2BRCA1HIF1AMETAP2KDM4E
SCHEMBL10892269 0.87 SMN1; SMN2 (0.48) SMN1; SMN2BRCA1HIF1AMETAP2KDM4E
SCHEMBL10892465 0.83 SMN1; SMN2 (0.55) SMN1; SMN2BRCA1HIF1AMETAP2KDM4E
SCHEMBL10894742 0.81 GAA (0.52) SMN1; SMN2BRCA1HIF1AMETAP2GAA
SCHEMBL10891736 0.81 SMN1; SMN2 (0.47) SMN1; SMN2BRCA1HIF1AMETAP2KDM4E
SCHEMBL10894845 0.78 CYP2D6 (0.47) SMN1; SMN2BRCA1HIF1AMETAP2KDM4E
SCHEMBL10899520 0.77 SMN1; SMN2 (0.37) SMN1; SMN2BRCA1HIF1AMETAP2KDM4E
SCHEMBL11017754 0.76 NQO1 (0.46) SMN1; SMN2METAP2KDM4EGAARAPGEF4
SCHEMBL10890812 0.76 GAA (0.49) SMN1; SMN2METAP2GAAALDH1A1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4588810-A Basic triphendioxazine dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1986-05-13 US disclosed