SCHEMBL9680196

SCHEMBL9680196

CC(C)c1cccc(C(C)C)c1NC(=O)CN(C(=O)C(F)(F)C(F)(F)C(F)(F)F)C(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
SOAT2 O75908 2/20 0.43
SOAT1 P35610 2/20 0.43
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL9851048 0.82 KMT2A (0.54) KMT2AMEN1SMN1; SMN2SOAT2SOAT1
SCHEMBL9679644 0.80 KMT2A (0.44) KMT2AMEN1SMN1; SMN2SOAT2SOAT1
SCHEMBL9678803 0.80 KMT2A (0.50) KMT2AMEN1SMN1; SMN2SOAT2SOAT1
SCHEMBL9680221 0.79 KMT2A (0.49) KMT2AMEN1SMN1; SMN2SOAT2SOAT1
SCHEMBL9680708 0.74 LPAR1 (0.49) KMT2AMEN1SMN1; SMN2SOAT2SOAT1
SCHEMBL9681037 0.74 KMT2A (0.47) KMT2AMEN1SMN1; SMN2SOAT2SOAT1
SCHEMBL9679595 0.74 NLRP3 (0.49) KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL9680252 0.73 LPAR1 (0.58) KMT2AMEN1SMN1; SMN2LMNAKDM4E
SCHEMBL9463453 0.73 KMT2A (0.50) KMT2AMEN1SMN1; SMN2SOAT2SOAT1
SCHEMBL9680035 0.72 KMT2A (0.43) KMT2AMEN1SMN1; SMN2SOAT2SOAT1

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