SCHEMBL9679385

SCHEMBL9679385

CC(C)c1cccc(C(C)C)c1NC(=O)CNCc1ccc(N(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.55
MEN1 O00255 5/20 0.55
KDM4E B2RXH2 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.51
SOAT1 P35610 4/20 0.49
SOAT2 O75908 3/20 0.49
ACAT1 P24752 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 2/20 0.42

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
SCHEMBL9463084 0.85 KMT2A (0.67) KMT2AMEN1KDM4ESMN1; SMN2SOAT1
SCHEMBL9851066 0.83 KMT2A (0.59) KMT2AMEN1KDM4ESMN1; SMN2SOAT1
SCHEMBL9843942 0.77 MEN1 (0.49) KMT2AMEN1SMN1; SMN2SOAT1SOAT2
SCHEMBL9679655 0.77 KMT2A (0.54) KMT2AMEN1KDM4ESMN1; SMN2SOAT1
SCHEMBL9678602 0.77 MEN1 (0.50) KMT2AMEN1SMN1; SMN2SOAT1SOAT2
SCHEMBL855709 0.76 SOAT2 (0.50) KMT2ASMN1; SMN2SOAT1SOAT2ACAT1
SCHEMBL31155751 0.74 LMNA (0.69) KMT2AKDM4ESMN1; SMN2SOAT1SOAT2
SCHEMBL855984 0.73 SOAT2 (0.47) KMT2ASOAT1SOAT2ACAT1LMNA
SCHEMBL9848424 0.73 SOAT2 (0.48) KMT2ASOAT1SOAT2ACAT1ALDH1A1
SCHEMBL9843936 0.73 SMN1; SMN2 (0.77) KMT2AMEN1KDM4ESMN1; SMN2SOAT1

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