SCHEMBL27945501

SCHEMBL27945501

CC(C)(C)C(=O)ON1CCN(c2c(Cl)cc(N)cc2Cl)CC1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.33
ALDH1A1 P00352 4/20 0.33
LMNA P02545 3/20 0.33
KDM4E B2RXH2 1/20 0.33
RAD52 P43351 1/20 0.33
GAA P10253 1/20 0.32
NR1H4 Q96RI1 2/20 0.32
CYP3A4 P08684 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
NR1H2 P55055 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HTT P42858 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL27748488 0.84 MAPT (0.54) MAPTALDH1A1LMNAKDM4ERAD52
SCHEMBL27826908 0.83 MAOA (0.33) MAPTALDH1A1NR1H2HTT
SCHEMBL27599739 0.80 ALDH1A1 (0.44) ALDH1A1LMNAGAAPOLBHTT
SCHEMBL6846616 0.78 MEN1 (0.47) MAPTALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL27925831 0.77 MAPT (0.44) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL27925828 0.76 KCNQ2 (0.35) MAPTALDH1A1LMNARAD52GAA
SCHEMBL11300671 0.76 MAPT (0.40) MAPTALDH1A1LMNAKDM4ERAD52
SCHEMBL27615060 0.75 GFER (0.54) MAPTALDH1A1LMNAKDM4ERAD52
SCHEMBL27721028 0.75 ADRA2C (0.53) MAPTALDH1A1LMNAKDM4EPOLB
SCHEMBL27773156 0.75 LMNA (0.43) MAPTLMNAKDM4EGAA

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
CN-103443102-A Bicyclic carboxamide inhibitors of kinases ABBVIE INC 2013-12-11 CN disclosed