SCHEMBL9843892

SCHEMBL9843892

CC(C)c1cccc(C(C)C)c1NC(=O)C(NC(=S)Nc1ccc(N(C)C)cc1)C(=O)N(Cc1ccccc1)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
LMNA P02545 3/20 0.43
ALOX12 P18054 2/20 0.43
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SOAT2 O75908 1/20 0.39
ACAT1 P24752 1/20 0.39
SOAT1 P35610 1/20 0.39
L3MBTL1 Q9Y468 1/20 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

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
SCHEMBL9843943 0.77 KMT2A (0.46) LMNAMEN1KMT2ANPC1
SCHEMBL9843835 0.75 LPAR1 (0.59) MAPTLMNASMN1; SMN2HTTMEN1
SCHEMBL9843883 0.75 KMT2A (0.50) LMNASMN1; SMN2MEN1KMT2ASOAT2
SCHEMBL9678916 0.74 MEN1 (0.47) ALDH1A1MAPTNPSR1LMNAGAA
SCHEMBL9843942 0.72 MEN1 (0.49) LMNASMN1; SMN2MEN1KMT2ASOAT2
SCHEMBL2147650 0.69 KMT2A (0.65) LMNASMN1; SMN2MEN1KMT2ASOAT2
SCHEMBL855984 0.69 SOAT2 (0.47) LMNAKMT2ASOAT2ACAT1SOAT1
SCHEMBL9680035 0.69 KMT2A (0.43) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL9680507 0.68 SOAT2 (0.55) LMNASMN1; SMN2MEN1KMT2ASOAT2
SCHEMBL9851017 0.67 KMT2A (0.46) ALDH1A1MAPTLMNAGAASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0433662-A2 Acat inhibitors WARNER-LAMBERT COMPANY (US) 1991-06-26 EP disclosed