SCHEMBL11028055

SCHEMBL11028055

Cc1ccc(NC(=O)C(C)C)c(N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.47
MDM4 O15151 1/20 0.46
TP53 P04637 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CETP P11597 1/20 0.44
HPGD P15428 1/20 0.43
AAK1 Q2M2I8 1/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
GFER P55789 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LPAR1 Q92633 2/20 0.42
ALOX15 P16050 1/20 0.41

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
SCHEMBL11591047 0.85 CXCR2 (0.51) GAATP53MEN1KMT2AHPGD
SCHEMBL7230992 0.83 KDM4E (0.51) GAAMDM4TP53HDAC1MEN1
SCHEMBL14254798 0.82 MEN1 (0.62) GAATP53HDAC3HDAC1HDAC2
SCHEMBL15009906 0.82 SMN1; SMN2 (0.50) GAATP53HDAC1MEN1KMT2A
SCHEMBL9509772 0.80 NPC1 (0.55) GAATP53HDAC3HDAC1HDAC2
SCHEMBL8887281 0.80 GAA (0.58) GAAMEN1KMT2AHPGDKDM4E
SCHEMBL24122328 0.79 AAK1 (0.43) GAAMEN1KMT2AAAK1POLB
SCHEMBL26816585 0.79 RAB9A (0.56) GAAMDM4TP53MEN1KMT2A
SCHEMBL91073 0.79 GAA (0.53) GAAMDM4TP53HDAC3HDAC1
SCHEMBL31314491 0.79 HPGD (0.70) GAATP53MEN1KMT2AHPGD

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-0159291-A1 Ink composition for the ink-jet printing process CIBA-GEIGY AG (CH) 1985-10-23 EP disclosed