SCHEMBL9307475

SCHEMBL9307475

CCOC(=O)c1cc([N+](=O)[O-])ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.59
ALDH1A1 P00352 10/20 0.49
MAPT P10636 7/20 0.49
KMT2A Q03164 7/20 0.49
MEN1 O00255 4/20 0.49
HPGD P15428 2/20 0.49
TP53 P04637 1/20 0.49
LMNA P02545 5/20 0.49
POLB P06746 2/20 0.49
GALR2 O43603 1/20 0.49
MITF O75030 1/20 0.49
HSP90AA1 P07900 1/20 0.49
XBP1 P17861 1/20 0.49
CCR6 P51684 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GAA P10253 2/20 0.48
MAPK1 P28482 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
HTT P42858 2/20 0.47

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
SCHEMBL6162009 0.88 PKM (0.53) SMN1; SMN2ALDH1A1MAPTLMNAPOLB
SCHEMBL16183923 0.84 CYP1A2 (0.54) SMN1; SMN2ALDH1A1KMT2AMEN1HPGD
SCHEMBL28573397 0.81 NPC1 (0.60) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL9268867 0.81 MAPT (0.65) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL14358948 0.80 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL2061305 0.79 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL7092077 0.79 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL2616932 0.79 MAPT (0.77) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL753425 0.79 KMT2A (0.72) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL14691594 0.79 HPGD (0.61) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1

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-5340808-A Fused pyridazinoquinazolone derivatives as neurotrophic agents WARNER LAMBERT COMPANY (US) 1994-08-23 US disclosed
WO-1994011373-A1 PYRIDAZINOQUINAZOLONE DERIVATIVES AS NEUROTROPHIC AGENTS WARNER-LAMBERT COMPANY (US) 1994-05-26 WO disclosed