SCHEMBL3216306

SCHEMBL3216306

CCOC(=O)C1CCN(C(=O)c2ccc(Cl)c(-c3ccc(-c4ccccc4)cc3)c2)CC1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.71
GLA P06280 1/20 0.58
KDM4E B2RXH2 2/20 0.56
PARP10 Q53GL7 1/20 0.53
GAA P10253 2/20 0.53
KMT2A Q03164 1/20 0.52
MGLL Q99685 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL6973124 0.80 GAA (0.73) TSHRGLAKDM4EGAAKMT2A
SCHEMBL3218307 0.80 SMN1; SMN2 (0.51) TSHRKMT2AMGLLALDH1A1
SCHEMBL3222628 0.79 MAPK14 (0.51) MGLL
SCHEMBL12911161 0.78 TSHR (0.69) TSHRGLAKDM4EPARP10GAA
SCHEMBL315088 0.78 TSHR (0.72) TSHRGLAKDM4EPARP10GAA
SCHEMBL314589 0.78 TSHR (0.75) TSHRGLAKDM4EGAAKMT2A
SCHEMBL774880 0.76 KDM1A (0.57)
SCHEMBL3221724 0.76 POLB (0.49) TSHRKMT2AMGLLALDH1A1
SCHEMBL13423695 0.76 PDK2 (0.53) MGLL
SCHEMBL3218302 0.76 PDK2 (0.53) MGLL

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
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US claimed