SCHEMBL10892269

SCHEMBL10892269

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
BRCA1 P38398 1/20 0.40
HIF1A Q16665 1/20 0.40
METAP2 P50579 3/20 0.39
GAA P10253 2/20 0.39
HDAC3 O15379 3/20 0.38
HDAC4 P56524 3/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC7 Q8WUI4 3/20 0.38
HDAC2 Q92769 3/20 0.38
HDAC10 Q969S8 3/20 0.38
HDAC11 Q96DB2 3/20 0.38
HDAC8 Q9BY41 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HDAC9 Q9UKV0 3/20 0.38
HDAC5 Q9UQL6 3/20 0.38
BRD4 O60885 1/20 0.38
ATAD2 Q6PL18 1/20 0.38
KDM4E B2RXH2 2/20 0.37
TOP2B Q02880 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
SCHEMBL10894138 0.88 SMN1; SMN2 (0.46) SMN1; SMN2BRCA1HIF1AMETAP2GAA
SCHEMBL10892465 0.88 SMN1; SMN2 (0.55) SMN1; SMN2BRCA1HIF1AMETAP2GAA
SCHEMBL10895441 0.87 SMN1; SMN2 (0.45) SMN1; SMN2BRCA1HIF1AMETAP2GAA
Hydrochloric Acid SCHEMBL10889858 0.87 SMN1; SMN2 (0.45) SMN1; SMN2BRCA1HIF1AMETAP2GAA
SCHEMBL10894742 0.85 GAA (0.52) SMN1; SMN2BRCA1HIF1AMETAP2GAA
SCHEMBL10891736 0.85 SMN1; SMN2 (0.47) SMN1; SMN2BRCA1HIF1AMETAP2GAA
SCHEMBL10890812 0.80 GAA (0.49) SMN1; SMN2METAP2GAAHDAC4HDAC6
SCHEMBL10894845 0.79 CYP2D6 (0.47) SMN1; SMN2BRCA1HIF1AMETAP2GAA
SCHEMBL15585986 0.78 SMN1; SMN2 (0.46) SMN1; SMN2BRCA1HIF1AHDAC6BRD4
SCHEMBL10894158 0.78 GAA (0.50) SMN1; SMN2GAAHDAC4HDAC6CA12

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