SCHEMBL12464381

SCHEMBL12464381

CC(C)C1C(=O)N(Cc2ccccc2)C(=O)[C@@H]1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 6/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
ELANE P08246 3/20 0.47
F2 P00734 1/20 0.47
PLG P00747 1/20 0.47
CTSG P08311 1/20 0.47
CMA1 P23946 1/20 0.47
CTRC Q99895 1/20 0.47
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 2/20 0.46
HTT P42858 1/20 0.46
PAX8 Q06710 1/20 0.46
EP300 Q09472 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL9975770 0.84 KMT2A (0.66) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL10031595 0.84 KMT2A (0.66) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL13669843 0.81 KMT2A (0.50) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL18506757 0.74 KMT2A (0.53) KMT2AMEN1ALDH1A1ELANEF2
SCHEMBL9055054 0.74 MEN1 (0.61) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL18803308 0.74 KMT2A (0.40) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL24837513 0.73 F2 (0.37) ALDH1A1ELANEF2CTSGCTRC
SCHEMBL16759895 0.73 KMT2A (0.70) KMT2AMEN1ALDH1A1ELANEF2
SCHEMBL16775234 0.73 KMT2A (0.70) KMT2AMEN1ALDH1A1ELANEF2
SCHEMBL13056734 0.72 PIK3CD (0.32) KMT2AMEN1

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-1826001-B1 A heat-sensitive positive-working lithographic printing plate precursor AGFA GRAPHICS NV (BE) 2011-07-06 EP disclosed