SCHEMBL9359367

SCHEMBL9359367

CC(C)(C)C(=O)c1ccc(C(=O)NOCCO)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
RAB9A P51151 6/20 0.44
NPC1 O15118 5/20 0.44
HDAC3 O15379 7/20 0.43
HDAC4 P56524 7/20 0.43
HDAC1 Q13547 7/20 0.43
HDAC7 Q8WUI4 7/20 0.43
HDAC2 Q92769 7/20 0.43
HDAC10 Q969S8 7/20 0.43
HDAC11 Q96DB2 7/20 0.43
HDAC8 Q9BY41 7/20 0.43
HDAC6 Q9UBN7 7/20 0.43
HDAC9 Q9UKV0 7/20 0.43
HDAC5 Q9UQL6 7/20 0.43
ACSS2 Q9NR19 1/20 0.41
MAPT P10636 1/20 0.39
MLYCD O95822 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 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
SCHEMBL9402878 0.87 KMT2A (0.49) KMT2ARAB9ANPC1HDAC3HDAC4
SCHEMBL9704727 0.86 KMT2A (0.56) KMT2ARAB9ANPC1HDAC3HDAC4
SCHEMBL9359357 0.82 MAP2K1 (0.38) KMT2AACSS2
SCHEMBL9402922 0.81 RAB9A (0.69) KMT2ARAB9ANPC1HDAC3HDAC4
SCHEMBL9402803 0.79 RAB9A (0.40) KMT2ARAB9ANPC1MLYCD
SCHEMBL21894152 0.79 CA1 (0.64) KMT2ARAB9ANPC1MAPTCA1
SCHEMBL9402928 0.79 HDAC3 (0.45) KMT2ARAB9ANPC1HDAC3HDAC4
SCHEMBL9402706 0.78 ALDH1A1 (0.44) KMT2ARAB9ANPC1MAPTMLYCD
SCHEMBL23647979 0.78 OGG1 (0.58) KMT2ARAB9ANPC1HDAC3HDAC4
SCHEMBL1897651 0.78 NPC1 (0.62) KMT2ARAB9ANPC1HDAC3HDAC4

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-0463989-B1 N-oxyimidic acid derivatives SANDOZ LTD (CH) 1994-12-28 EP disclosed
US-5319123-A Reacting an N-alkoxyamide with an acyl halide in the presence of a hindered base SANDOZ LTD. (CH) 1994-06-07 US disclosed
EP-0463989-A1 N-oxyimidic acid derivatives SANDOZ LTD. (CH) 1992-01-02 EP disclosed