SCHEMBL9681089

SCHEMBL9681089

COc1ccccc1C(NCC(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.57
MEN1 O00255 7/20 0.57
LPAR1 Q92633 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 1/20 0.47
KDM4E B2RXH2 1/20 0.47
SOAT2 O75908 1/20 0.47
SOAT1 P35610 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL9679362 0.89 KMT2A (0.63) KMT2AMEN1SMN1; SMN2KDM4ESOAT2
SCHEMBL9680704 0.87 KMT2A (0.72) KMT2AMEN1SMN1; SMN2TDP1
SCHEMBL9681131 0.85 KMT2A (0.57) KMT2AMEN1SMN1; SMN2KDM4ESOAT2
SCHEMBL9679742 0.85 KMT2A (0.60) KMT2AMEN1LPAR1SMN1; SMN2KDM4E
SCHEMBL9680727 0.85 SMN1; SMN2 (0.60) KMT2AMEN1LPAR1SMN1; SMN2HPGD
SCHEMBL9680214 0.84 KMT2A (0.56) KMT2AMEN1SMN1; SMN2KDM4ESOAT2
SCHEMBL9679301 0.84 KMT2A (0.56) KMT2AMEN1SMN1; SMN2KDM4ESOAT2
SCHEMBL9678718 0.83 KMT2A (0.55) KMT2AMEN1SMN1; SMN2KDM4ESOAT2
SCHEMBL9679252 0.83 KMT2A (0.66) KMT2AMEN1LPAR1SMN1; SMN2TDP1
SCHEMBL9678931 0.83 KMT2A (0.57) KMT2AMEN1SMN1; SMN2KDM4ESOAT2

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