SCHEMBL9526809

SCHEMBL9526809

CCOC(=O)/C(=N\OCCCCNC(=O)OC(C)(C)C)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.44
MEN1 O00255 7/20 0.44
MAPT P10636 7/20 0.44
GAA P10253 4/20 0.44
NPSR1 Q6W5P4 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
RECQL P46063 1/20 0.44
MAPK1 P28482 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ABCB1 P08183 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL9526816 1.00 KMT2A (0.44) KMT2AMEN1MAPTGAANPSR1
SCHEMBL2541499 0.91 HDAC3 (0.38) MAPTGAANPSR1LMNACYP3A4
SCHEMBL9526858 0.91 HDAC3 (0.38) MAPTGAANPSR1LMNACYP3A4
SCHEMBL2535653 0.88 MAPT (0.38) MAPTGAALMNACYP3A4HDAC3
SCHEMBL10551133 0.85 MAPT (0.39) KMT2AMEN1MAPTGAANPSR1
SCHEMBL10551124 0.85 MAPT (0.39) KMT2AMEN1MAPTGAANPSR1
SCHEMBL11139117 0.85 KMT2A (0.52) KMT2AMEN1MAPTGAANPSR1
SCHEMBL11132942 0.85 KMT2A (0.52) KMT2AMEN1MAPTGAANPSR1
SCHEMBL11140064 0.84 KMT2A (0.50) KMT2AMEN1MAPTGAANPSR1
SCHEMBL11067485 0.84 KMT2A (0.50) KMT2AMEN1MAPTGAANPSR1

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-0249170-B1 CEPHEM COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1993-03-17 EP disclosed
US-4921851-A Cephem compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-05-01 US disclosed
EP-0249170-A2 Cephem compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-12-16 EP disclosed