SCHEMBL630231

SCHEMBL630231

O=C(N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1)O[C@H]1CCCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.44
POLB P06746 1/20 0.44
BRD4 O60885 2/20 0.42
BRD2 P25440 2/20 0.42
BRD3 Q15059 2/20 0.42
BRDT Q58F21 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
TACR2 P21452 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.40
BDKRB1 P46663 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
IDH2 P48735 1/20 0.39

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
SCHEMBL630055 0.94 KCNQ1 (0.47) POLBSMN1; SMN2MAPTKMT2AGAA
SCHEMBL630495 0.94 POLB (0.44) EPHX2POLBBRD4BRD2BRD3
SCHEMBL631414 0.94 POLB (0.42) EPHX2POLBBRD4BRD2BRD3
SCHEMBL1380078 0.89 POLB (0.53) EPHX2POLBBRD4BRD2BRD3
SCHEMBL630103 0.89 POLB (0.53) EPHX2POLBBRD4BRD2BRD3
SCHEMBL630210 0.84 KCNQ1 (0.54) POLBMAPTGAALMNAALDH1A1
SCHEMBL1382352 0.84 POLB (0.51) POLBBRD4SMN1; SMN2MAPTKMT2A
SCHEMBL631349 0.83 POLB (0.54) POLBSMN1; SMN2MAPTKMT2AGAA
SCHEMBL1381295 0.83 POLB (0.54) POLBSMN1; SMN2MAPTKMT2AGAA
SCHEMBL630024 0.83 POLB (0.54) POLBSMN1; SMN2MAPTKMT2AGAA

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-1778637-B1 FKBP-binding composition and pharmaceutical use thereof AVENTIS PHARMA INC (US) 2012-02-22 EP claimed