SCHEMBL2552885

SCHEMBL2552885

CN1CCN(c2ccc(Cl)cc2S(C)(=O)=O)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
ALDH1A1 P00352 3/20 0.54
PHGDH O43175 1/20 0.52
NPSR1 Q6W5P4 2/20 0.49
LMNA P02545 3/20 0.47
GAA P10253 1/20 0.47
BCL2A1 Q16548 1/20 0.47
HTR6 P50406 3/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
RAD52 P43351 1/20 0.46
DRD2 P14416 2/20 0.44
DRD4 P21917 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
ATM Q13315 1/20 0.44
HTT P42858 1/20 0.44
MCL1 Q07820 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL2557226 0.83 USP2 (0.54) ALDH1A1PHGDHNPSR1LMNAHTR6
SCHEMBL14194068 0.83 MAPT (0.46) ALDH1A1PHGDHLMNAGAAMAPT
SCHEMBL13778131 0.79 STS (0.55) ALDH1A1PHGDHNPSR1LMNAMAPT
SCHEMBL30553379 0.79 PHGDH (0.45) POLBALDH1A1PHGDHNPSR1LMNA
SCHEMBL14922275 0.78 POLB (0.71) POLBALDH1A1LMNABCL2A1MAPT
SCHEMBL24712697 0.77 DRD2 (0.69) ALDH1A1LMNAHTR6MAPTDRD2
SCHEMBL8275465 0.73 POLB (0.65) POLBALDH1A1PHGDHBCL2A1MAPT
SCHEMBL360379 0.73 POLB (1.00) POLBALDH1A1LMNAGAABCL2A1
SCHEMBL2570869 0.73 HTT (0.43) POLBALDH1A1GAAMAPTKDM4E
SCHEMBL1481336 0.72 POLB (0.58) POLBALDH1A1LMNAGAABCL2A1

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-2011123937-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 WO disclosed