SCHEMBL9500913

SCHEMBL9500913

CC(C)(C)C(=O)N([SiH3])c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL9611270 0.78 KMT2A (0.62) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL3283283 0.77 KMT2A (0.60) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL8946139 0.77 KMT2A (0.60) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL10568833 0.76 NPSR1 (0.46) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL9474692 0.75 KMT2A (0.58) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL7089700 0.75 KMT2A (0.58) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL11583122 0.75 KMT2A (0.58) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL3786686 0.73 KMT2A (0.56) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL17333657 0.72 MEN1 (0.76) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL14399206 0.72 ALDH1A1 (0.56) KMT2AMEN1CYP3A4CYP2C9CYP2C19

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
CN-1074441-A The weedicide of citrus, oil palm, rubber and other plantation crop DU PONT (US) 1993-07-21 CN disclosed
US-5177131-A Polysilethylenesiloxane, hydrolyzable silane compound SHIN-ETSU CHEMICAL CO., LTD. (JP) 1993-01-05 US disclosed
EP-0161058-B1 DUAL SURFACE MATERIALS DOW CORNING CORPORATION (US) 1989-05-24 EP disclosed