SCHEMBL9851017

SCHEMBL9851017

CC(C)c1cccc(C(C)C)c1NC(=O)CNC(C(=S)Nc1ccc(N(C)C)cc1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
SOAT2 O75908 2/20 0.41
SOAT1 P35610 2/20 0.41
ACAT1 P24752 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
MCL1 Q07820 1/20 0.38
LMNA P02545 1/20 0.38
P2RY1 P47900 1/20 0.38

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
SCHEMBL9679655 0.80 KMT2A (0.54) KMT2AMEN1SOAT2SOAT1ACAT1
SCHEMBL9680035 0.77 KMT2A (0.43) KMT2AMEN1SOAT2SOAT1ACAT1
SCHEMBL9851062 0.76 SOAT2 (0.43) KMT2AMEN1SOAT2SOAT1ACAT1
SCHEMBL9678692 0.76 KMT2A (0.44) KMT2AMEN1SOAT2SOAT1ACAT1
SCHEMBL9678916 0.74 MEN1 (0.47) KMT2AMEN1SOAT2SOAT1SMN1; SMN2
SCHEMBL9678933 0.73 KMT2A (0.63) KMT2AMEN1SOAT2SOAT1SMN1; SMN2
SCHEMBL9679362 0.73 KMT2A (0.63) KMT2AMEN1SOAT2SOAT1SMN1; SMN2
SCHEMBL9678585 0.73 KMT2A (0.63) KMT2AMEN1SOAT2SOAT1SMN1; SMN2
SCHEMBL9678591 0.73 KMT2A (0.63) KMT2AMEN1SOAT2SOAT1SMN1; SMN2
SCHEMBL9679385 0.70 KMT2A (0.55) KMT2AMEN1SOAT2SOAT1ACAT1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0415413-A1 Acat inhibitors WARNER-LAMBERT COMPANY (US) 1991-03-06 EP disclosed