SCHEMBL7669169

SCHEMBL7669169

O=C1OC(c2ccc3c(c2)OCO3)=NC1=CN1CCN(c2nc3ccccc3[nH]2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.52
RAB9A P51151 7/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
POLB P06746 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
NPC1 O15118 6/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
NPY5R Q15761 2/20 0.42
GAA P10253 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
TP53 P04637 2/20 0.42
HTR2B P41595 1/20 0.41
TNKS O95271 1/20 0.41
PARP1 P09874 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41

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
SCHEMBL7669163 1.00 OGA (0.52) OGARAB9AHTTL3MBTL1MEN1
SCHEMBL7671301 0.87 RAB9A (0.46) RAB9AL3MBTL1MEN1KMT2APOLB
SCHEMBL7671299 0.87 RAB9A (0.46) RAB9AL3MBTL1MEN1KMT2APOLB
SCHEMBL7667633 0.85 RAB9A (0.59) RAB9AL3MBTL1MEN1KMT2APOLB
SCHEMBL7667639 0.85 RAB9A (0.59) RAB9AL3MBTL1MEN1KMT2APOLB
SCHEMBL7672365 0.84 RAB9A (0.49) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL7672362 0.84 RAB9A (0.49) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL7667849 0.83 RAB9A (0.48) RAB9AL3MBTL1MEN1KMT2APOLB
SCHEMBL7667843 0.83 RAB9A (0.48) RAB9AL3MBTL1MEN1KMT2APOLB
SCHEMBL7663710 0.83 LMNA (0.48) RAB9AL3MBTL1MEN1KMT2APOLB

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-6355641-B1 HYPOTENSIVE AGENTS AND WOUND HEALING AGENTS SYNTEX (U.S.A.) LLC 2002-03-12 US disclosed
WO-2000055143-A1 OXAZOLONE DERIVATIVES AND THEIR USE AS ALPHA-1 ADRENORECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2000-09-21 WO disclosed