SCHEMBL27953752

SCHEMBL27953752

Nc1cc(Cl)c(N2CCN(C(=O)O)CC2)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
HTR1A P08908 1/20 0.37
HTR2A P28223 1/20 0.37
HTR7 P34969 1/20 0.37
HTR6 P50406 1/20 0.37
GFER P55789 2/20 0.37
CASP6 P55212 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
MAPT P10636 5/20 0.36
ALDH1A1 P00352 4/20 0.36
CYP3A4 P08684 2/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
KDM4E B2RXH2 2/20 0.36
RAD52 P43351 1/20 0.36
HSD11B1 P28845 1/20 0.36
HSP90AA1 P07900 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALOX12 P18054 1/20 0.34

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
SCHEMBL27651306 0.84 HCAR2 (0.40) LMNAHTR1AHTR2AHTR7HTR6
SCHEMBL2533147 0.80 ALDH1A1 (0.60) LMNAGFERCASP6MAPTALDH1A1
SCHEMBL11352178 0.79 BTK (0.38) LMNAGFERCASP6MAPTALDH1A1
SCHEMBL23777655 0.79 NOTUM (0.54) LMNAHTR1AHTR2AHTR7HTR6
SCHEMBL6846616 0.77 MEN1 (0.47) LMNAMAPTALDH1A1POLBSMN1; SMN2
SCHEMBL4081817 0.77 HCAR2 (0.56) LMNAHCAR2MAPTALDH1A1CYP3A4
SCHEMBL27741480 0.76 SMN1; SMN2 (0.46) LMNAMAPTALDH1A1POLBSMN1; SMN2
SCHEMBL6844667 0.75 ALDH1A1 (0.57) LMNAMAPTALDH1A1CYP3A4GAA
SCHEMBL19951454 0.74 CYP3A4 (0.49) LMNAHCAR2MAPTALDH1A1CYP3A4
SCHEMBL10126855 0.74 KDM4E (0.61) GFERMAPTALDH1A1GAAKDM4E

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-103703005-A Tricyclic inhibitors of kinases ABBOTT LAB 2014-04-02 CN disclosed