SCHEMBL16494401

SCHEMBL16494401

O=C(O)c1cccnc1Nc1ccc2c(c1)OCCO2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.61
▸ MEN1 O00255 5/20 0.61
▸ KMT2A Q03164 5/20 0.61
▸ NPC1 O15118 5/20 0.61
▸ LMNA P02545 5/20 0.61
▸ MAPT P10636 2/20 0.61
▸ DHODH Q02127 6/20 0.59
▸ POLB P06746 2/20 0.59
▸ SMN1; SMN2 Q16637 4/20 0.58
▸ ATM Q13315 1/20 0.55
▸ ALDH1A1 P00352 3/20 0.54
▸ HTT P42858 2/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ PKM P14618 3/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ GMNN O75496 1/20 0.54
▸ TTR P02766 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54

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
SCHEMBL1372455 0.86 ATM (0.55) RAB9AMEN1KMT2ANPC1LMNA
SCHEMBL29412847 0.80 DHODH (0.59) RAB9AMEN1KMT2ANPC1LMNA
SCHEMBL25342600 0.80 DHODH (0.59) RAB9AMEN1KMT2ANPC1LMNA
SCHEMBL1375701 0.79 RAB9A (0.49) RAB9AMEN1KMT2ANPC1LMNA
SCHEMBL1375914 0.78 TUBB4A (0.48) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL10094259 0.76 TDP1 (0.49) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL2047264 0.76 DHODH (0.70) RAB9AMEN1KMT2ANPC1LMNA
SCHEMBL15636368 0.76 DHODH (0.72) RAB9AMEN1KMT2ANPC1LMNA
SCHEMBL479877 0.76 DHODH (1.00) RAB9AMEN1KMT2ANPC1LMNA
SCHEMBL10640763 0.75 SMN1; SMN2 (0.67) RAB9AMEN1KMT2ANPC1LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2394995-A1 RING-FUSED 2-PYRIDONE DERIVATIVES AND HERBICIDES Kumiai Chemical Industry CO., LTD. (JP) 2011-12-14 — — EP disclosed
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