SCHEMBL9525229

SCHEMBL9525229

COc1cc(NC(C)O)cc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MAPK1 P28482 2/20 0.54
G6PD P11413 1/20 0.50
CYP3A4 P08684 1/20 0.48
ACHE P22303 1/20 0.45
CA9 Q16790 1/20 0.43
ALDH1A1 P00352 2/20 0.41
TUBB4A P04350 2/20 0.41
TUBB P07437 2/20 0.41
TUBA3C P0DPH7 2/20 0.41
TUBA1B P68363 2/20 0.41
TUBA4A P68366 2/20 0.41
TUBB4B P68371 2/20 0.41
TUBB3 Q13509 2/20 0.41
TUBB2A Q13885 2/20 0.41
TUBB8 Q3ZCM7 2/20 0.41
TUBA3E Q6PEY2 2/20 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
SCHEMBL5300778 0.83 MAPT (0.58) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL25896876 0.80 MAPT (0.54) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL2674642 0.78 MEN1 (0.53) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL9348606 0.78 MAPT (0.56) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL12932855 0.77 MAPK1 (0.51) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL12963097 0.77 G6PD (0.59) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL11197844 0.75 MEN1 (0.50) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL27518757 0.75 MAPT (0.46) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL11062887 0.75 MEN1 (0.50) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL4099563 0.74 MAPT (0.49) MAPTMEN1KMT2ASMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0301751-B1 PYRIDINIUM DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1993-03-10 EP disclosed
US-4962113-A PLATELET ACTIVATING FACTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 1990-10-09 US disclosed
EP-0301751-A1 Pyridinium derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1989-02-01 EP disclosed