SCHEMBL8328904

SCHEMBL8328904

COC(=O)Cc1ccc2c(c1)C(C)(C)C(C)=N2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
GAA P10253 1/20 0.44
GFER P55789 1/20 0.44
PDK2 Q15119 1/20 0.44
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
HSP90AB1 P08238 1/20 0.41
HPGD P15428 2/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SLC7A5 Q01650 1/20 0.37
ABL1 P00519 1/20 0.35
RIN1 Q13671 1/20 0.35

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
SCHEMBL18386310 0.88 SMN1; SMN2 (0.42) CYP4F2CYP4A11MAPTNPC1RAB9A
SCHEMBL2005219 0.84 GAA (0.41) ALDH1A1GAAHPGDMAPTTSHR
SCHEMBL8390740 0.84 CA2 (0.40) ALDH1A1HPGDMAPTNPC1RAB9A
SCHEMBL8390737 0.83 MEN1 (0.32)
SCHEMBL14048572 0.76 CYP26B1 (0.46)
SCHEMBL8102850 0.71 RXRA (0.55) ALDH1A1GAAGFERPDK2CYP4F2
SCHEMBL5695447 0.70 TDP1 (0.39) ALDH1A1GAAHPGDMAPTNPC1
SCHEMBL5851116 0.70 SKP2 (0.41) ALDH1A1KDM4E
SCHEMBL4113212 0.69 CYP4F2 (0.76) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL1786183 0.69 NPC1 (0.63) ALDH1A1GAAGFERPDK2CYP4F2

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-6004536-A USED FOR STAINING MEMBRANES IN CELLS OR ISOLATED FROM CELLS, ARE WELL-RETAINED THEREIN MOLECULAR PROBES, INC. (US) 1999-12-21 US disclosed