SCHEMBL9868046

SCHEMBL9868046

O=[N+]([O-])c1ccccc1-c1nc2ncccc2o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.59
ALDH1A1 P00352 7/20 0.58
MAPT P10636 5/20 0.58
GAA P10253 2/20 0.58
HPGD P15428 1/20 0.58
HSD17B10 Q99714 1/20 0.58
RAB9A P51151 5/20 0.51
NPC1 O15118 5/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 1/20 0.51
F2 P00734 1/20 0.51
C1R P00736 1/20 0.51
ACHE P22303 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
MITF O75030 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
PDE10A Q9Y233 1/20 0.48
POLB P06746 1/20 0.47
ADRB2 P07550 1/20 0.47
ABCB1 P08183 1/20 0.45

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
SCHEMBL2252128 0.80 MAPT (0.68) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL9869172 0.79 MAPT (0.47) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL9867617 0.78 MAPT (0.61) KDM4EALDH1A1MAPTRAB9ANPC1
SCHEMBL7258572 0.76 SMN1; SMN2 (0.64) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL11643803 0.76 RAB9A (0.49) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL4600240 0.75 KDM4E (0.68) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL13522986 0.75 NPC1 (0.69) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL11645613 0.75 KDM4E (0.68) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL9646773 0.75 KDM4E (1.00) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL220575 0.75 KDM4E (0.68) KDM4EALDH1A1MAPTGAAHPGD

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-4038396-A ANTIPYRETICS, ANALGESICS MERCK & CO., INC. (US) 1977-07-26 US claimed
US-5077408-A PROCESS FOR THE SYNTHESIS OF OXAZOLOPYRIDINE COMPOUNDS SCIENCE ET ORGANISATION (FR) 1991-12-31 US disclosed