SCHEMBL9680035

SCHEMBL9680035

CC(C)c1cccc(C(C)C)c1NC(=O)CN(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 0.43
MEN1 O00255 3/20 0.43
SOAT2 O75908 3/20 0.42
SOAT1 P35610 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ACAT1 P24752 1/20 0.42
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
MCL1 Q07820 1/20 0.39
LMNA P02545 1/20 0.39
P2RY1 P47900 1/20 0.39
GAA P10253 1/20 0.39
PRNP P04156 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
SCHEMBL9680634 0.87 ALOX15 (0.46) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL9678692 0.85 KMT2A (0.44) KMT2AMEN1SOAT2SOAT1SMN1; SMN2
SCHEMBL9678916 0.82 MEN1 (0.47) KMT2AMEN1SOAT2SOAT1SMN1; SMN2
SCHEMBL9851048 0.81 KMT2A (0.54) KMT2AMEN1SOAT2SOAT1SMN1; SMN2
SCHEMBL9680221 0.81 KMT2A (0.49) KMT2AMEN1SOAT2SOAT1SMN1; SMN2
SCHEMBL9678803 0.77 KMT2A (0.50) KMT2AMEN1SOAT2SOAT1SMN1; SMN2
SCHEMBL9851017 0.77 KMT2A (0.46) KMT2AMEN1SOAT2SOAT1SMN1; SMN2
SCHEMBL9679655 0.73 KMT2A (0.54) KMT2AMEN1SOAT2SOAT1SMN1; SMN2
SCHEMBL9851062 0.73 SOAT2 (0.43) KMT2AMEN1SOAT2SOAT1SMN1; SMN2
SCHEMBL9680196 0.72 KMT2A (0.45) KMT2AMEN1SOAT2SOAT1SMN1; 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