SCHEMBL9680704

SCHEMBL9680704

COc1ccc(C(NCC(=O)Nc2c(C(C)C)cccc2C(C)C)c2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.72
MEN1 O00255 6/20 0.72
TDP1 Q9NUW8 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL9679252 0.96 KMT2A (0.66) KMT2AMEN1TDP1SMN1; SMN2
SCHEMBL9679742 0.91 KMT2A (0.60) KMT2AMEN1TDP1SMN1; SMN2
SCHEMBL9679362 0.90 KMT2A (0.63) KMT2AMEN1TDP1SMN1; SMN2
SCHEMBL9681089 0.87 KMT2A (0.57) KMT2AMEN1TDP1SMN1; SMN2
SCHEMBL9678777 0.87 TDP1 (0.57) KMT2AMEN1TDP1SMN1; SMN2
SCHEMBL9678931 0.87 KMT2A (0.57) KMT2AMEN1TDP1SMN1; SMN2
SCHEMBL9680195 0.86 KMT2A (0.54) KMT2AMEN1TDP1SMN1; SMN2
SCHEMBL9678946 0.86 KMT2A (0.56) KMT2AMEN1TDP1SMN1; SMN2
SCHEMBL9680214 0.86 KMT2A (0.56) KMT2AMEN1TDP1SMN1; SMN2
SCHEMBL9680654 0.86 KMT2A (0.56) KMT2AMEN1TDP1SMN1; SMN2

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-0415413-A1 Acat inhibitors WARNER-LAMBERT COMPANY (US) 1991-03-06 EP claimed
US-5153226-A Administering as anticholesterol agents, for atherosclerosis WARNER-LAMBERT COMPANY (US) 1992-10-06 US disclosed
EP-0415413-A1 Acat inhibitors WARNER-LAMBERT COMPANY (US) 1991-03-06 EP disclosed