SCHEMBL7745271

SCHEMBL7745271

O=[N+]([O-])c1ccccc1NCCCCO

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 2/20 0.69
ALDH1A1 P00352 5/20 0.56
MAPT P10636 7/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
GSTM2 P28161 1/20 0.56
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
GAA P10253 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
PRSS1 P07477 1/20 0.49

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
SCHEMBL5922386 0.95 KAT2B (0.71) KAT2BALDH1A1MAPTNPC1RAB9A
SCHEMBL6200169 0.92 KAT2B (0.81) KAT2BALDH1A1MAPTNPC1RAB9A
SCHEMBL8654854 0.91 KAT2B (0.66) KAT2BALDH1A1MAPTNPC1RAB9A
SCHEMBL8720672 0.90 KAT2B (0.78) KAT2BALDH1A1MAPTNPC1RAB9A
SCHEMBL6198359 0.90 KAT2B (0.78) KAT2BALDH1A1MAPTNPC1RAB9A
Diethanolamine SCHEMBL198603 0.89 KAT2B (0.64) KAT2BALDH1A1MAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL8645147 0.89 KAT2B (0.67) KAT2BALDH1A1MAPTNPC1RAB9A
SCHEMBL110446 0.88 KAT2B (0.66) KAT2BALDH1A1MAPTNPC1RAB9A
SCHEMBL29390623 0.88 KAT2B (0.66) KAT2BALDH1A1MAPTNPC1RAB9A
SCHEMBL7170020 0.88 KAT2B (0.81) KAT2BALDH1A1MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed
US-4904671-A ANTIARTHRITIC AGENTS; PLATELET ACTIVATING FACTOR PFIZER INC. (US) 1990-02-27 US disclosed
EP-0330327-A2 Dihydropyridines, their preparation and their use as PAF-antagonists Pfizer Limited (GB) 1989-08-30 EP disclosed