SCHEMBL11017754

SCHEMBL11017754

Nc1ccc(NCCCN(CCO)CCO)c(S(N)(=O)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.46
POLB P06746 4/20 0.44
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.44
RECQL P46063 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
EGFR P00533 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAD52 P43351 1/20 0.44
BLM P54132 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
METAP2 P50579 3/20 0.41
CYP19A1 P11511 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.37
CA2 P00918 3/20 0.36

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
SCHEMBL10536585 0.84 RAPGEF4 (0.43) POLBMAPTALDH1A1RECQLL3MBTL1
SCHEMBL10892465 0.84 SMN1; SMN2 (0.55) POLBMAPTSMN1; SMN2METAP2RAPGEF4
SCHEMBL10894580 0.78 CHEK1 (0.45) MAPTALDH1A1KMT2ALMNAMAPK1
SCHEMBL10576785 0.76 RAPGEF4 (0.55) POLBMAPTALDH1A1RECQLL3MBTL1
SCHEMBL10536567 0.76 CYP2D6 (0.45) POLBMAPTALDH1A1RECQLL3MBTL1
SCHEMBL10895441 0.76 SMN1; SMN2 (0.45) POLBMAPTALDH1A1RECQLL3MBTL1
SCHEMBL10903069 0.75 RAPGEF4 (0.36) POLBMAPTALDH1A1RECQLL3MBTL1
SCHEMBL10899520 0.75 SMN1; SMN2 (0.37) NQO1POLBMAPTALDH1A1RECQL
SCHEMBL10889054 0.74 METAP2 (0.45) MAPTALDH1A1LMNAMAPK1METAP2
SCHEMBL9879136 0.74 CYP19A1 (0.42) POLBMAPTALDH1A1RECQLL3MBTL1

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
EP-0148390-A2 Basic triphendioxazine dyes, their manufacture and their use BAYER AG (DE) 1985-07-17 EP disclosed