SCHEMBL9719790

SCHEMBL9719790

CC(=O)Nc1cccc(OCc2ccccn2)c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.59
NPC1 O15118 5/20 0.59
RAB9A P51151 5/20 0.59
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
LMNA P02545 2/20 0.55
MAPT P10636 2/20 0.54
GRM4 Q14833 2/20 0.52
AHR P35869 1/20 0.52
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
EGFR P00533 1/20 0.50
ERBB2 P04626 1/20 0.50
LCK P06239 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL8876245 0.87 RAB9A (0.56) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL1193236 0.85 PARP10 (0.59) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL9719835 0.82 APP (0.55) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL10599853 0.81 MEN1 (0.79) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL7717113 0.80 CYSLTR1 (0.68) NPC1MEN1KMT2ALMNAMAPT
Water SCHEMBL9719934 0.79 CYSLTR1 (0.67) NPC1MEN1KMT2ALMNAMAPT
SCHEMBL28807452 0.79 TLR4 (0.49) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL4727210 0.79 KMT2A (0.67) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL9719862 0.79 ERBB2 (0.74) GRM4EGFRERBB2LCK
SCHEMBL17601202 0.79 EGFR (0.63) SMN1; SMN2NPC1RAB9AMAPTGRM4

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-5157039-A Lipoxygenase inhibitors LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1992-10-20 US disclosed
US-5109009-A QUINOLINE AND PYRIDINE COMPOUNDS AND INHIBITION OF 5-LIPOXYGENASES THEREWITH LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1992-04-28 US disclosed
US-4826987-A Pyridyl and quinoline derivatives LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1989-05-02 US disclosed