SCHEMBL13736688

SCHEMBL13736688

O=[N+]([O-])c1ccc(OCCN2CC3(COC3)C2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD38 P28907 1/20 0.41
LTA4H P09960 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
ALDH1A1 P00352 6/20 0.40
HSPB1 P04792 2/20 0.40
HPGD P15428 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PABPC1 P11940 1/20 0.39
GABRA5 P31644 1/20 0.38
KDM4E B2RXH2 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 6/20 0.38
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 2/20 0.36

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
SCHEMBL13736974 0.94 CYP1A2 (0.40) CD38ALDH1A1HSPB1HPGDCYP1A2
SCHEMBL13737536 0.83 LTA4H (0.59) LTA4HPTGS1PTGS2ALDH1A1KMT2A
SCHEMBL3386044 0.81 ALDH1A1 (0.54) LTA4HPTGS1PTGS2ALDH1A1HPGD
SCHEMBL1641137 0.80 LTA4H (0.61) LTA4HPTGS1PTGS2ALDH1A1HSPB1
SCHEMBL13736543 0.79 MAPT (0.49) ALDH1A1HPGDCYP1A2CYP2C9KMT2A
SCHEMBL6408582 0.79 LTA4H (0.60) LTA4HPTGS1PTGS2ALDH1A1MEN1
SCHEMBL13736214 0.79 CD38 (0.42) CD38LTA4HPTGS1PTGS2MEN1
SCHEMBL13737864 0.78 SMN1; SMN2 (0.46) ALDH1A1HPGDCYP1A2CYP2C9MEN1
SCHEMBL3382465 0.78 ALDH1A1 (0.49) LTA4HPTGS1PTGS2ALDH1A1HSPB1
SCHEMBL16973009 0.77 LTA4H (0.46) LTA4HPTGS1PTGS2ALDH1A1HSPB1

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
WO-2012153154-A1 OXETANE SUBSTITUTED THIENO PYRIMIDINONES RICHTER GEDEON NYRT. (HU) 2012-11-15 WO claimed
WO-2012153154-A1 OXETANE SUBSTITUTED THIENO PYRIMIDINONES RICHTER GEDEON NYRT. (HU) 2012-11-15 WO disclosed