SCHEMBL8034161

SCHEMBL8034161

CCCN(C)C(=O)N(C)C(=O)c1cc(OCc2ccccc2)c(OC)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
RAF1 P04049 2/20 0.46
MAP2K1 Q02750 2/20 0.46
EGFR P00533 1/20 0.46
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SRD5A1 P18405 2/20 0.44
SRD5A2 P31213 2/20 0.44
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43
SMPD1 P17405 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL8022341 0.92 MEN1 (0.50) APPMEN1KMT2ARAF1MAP2K1
SCHEMBL8035939 0.89 RAF1 (0.44) APPMEN1KMT2ARAF1MAP2K1
SCHEMBL8031650 0.85 MEN1 (0.46) APPMEN1KMT2ARAF1MAP2K1
SCHEMBL8022338 0.84 TRPM8 (0.46) APPMEN1KMT2ARAF1MAP2K1
SCHEMBL8032086 0.84 NPC1 (0.47) APPMEN1KMT2ARAF1MAP2K1
SCHEMBL8035938 0.83 SRD5A1 (0.47) APPMEN1KMT2ARAF1MAP2K1
SCHEMBL8034163 0.83 CTSV (0.47) APPMEN1KMT2ARAF1MAP2K1
SCHEMBL8038348 0.81 MTNR1A (0.47) APPRAF1MAP2K1EGFRNPC1
SCHEMBL8032065 0.81 MTNR1A (0.46) APPRAF1MAP2K1EGFRNPC1
SCHEMBL8038345 0.80 HPGD (0.52) APPMEN1KMT2ARAF1MAP2K1

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
WO-2009081892-A1 NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND USE OF THOSE KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-07-02 WO disclosed