SCHEMBL8004825

SCHEMBL8004825

Cc1sc(NC(=O)CCCNC2=C(C(=N)C(F)(F)F)CCCC2)c(C(N)=O)c1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AIP O00170 1/20 0.56
SGTA O43765 1/20 0.56
TOMM70 O94826 1/20 0.56
STIP1 P31948 1/20 0.56
PPP5C P53041 1/20 0.56
FKBP4 Q02790 1/20 0.56
PPID Q08752 1/20 0.56
FKBP5 Q13451 1/20 0.56
FKBP8 Q14318 1/20 0.56
TOMM34 Q15785 1/20 0.56
DNAJC7 Q99615 1/20 0.56
AIPL1 Q9NZN9 1/20 0.56
STUB1 Q9UNE7 1/20 0.56
ALDH1A1 P00352 9/20 0.47
MAPT P10636 4/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
RXFP1 Q9HBX9 1/20 0.40
LMNA P02545 3/20 0.40

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
SCHEMBL12952839 0.87 AIP (0.54) AIPSGTATOMM70STIP1PPP5C
SCHEMBL8004264 0.79 GRIN2C (0.48) ALDH1A1MAPTHPGDHSD17B10SMN1; SMN2
SCHEMBL7991511 0.73 POLB (0.47) ALDH1A1HPGDLMNASMN1; SMN2KMT2A
SCHEMBL8001897 0.72 HDAC1 (0.48) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL1006092 0.68 ALDH1A1 (0.54) AIPSGTATOMM70STIP1PPP5C
SCHEMBL1009791 0.67 AIP (0.52) AIPSGTATOMM70STIP1PPP5C
SCHEMBL8003733 0.67 HPGD (0.51) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL7003055 0.64 AIP (0.74) AIPSGTATOMM70STIP1PPP5C
SCHEMBL11324603 0.63 AIP (0.66) AIPSGTATOMM70STIP1PPP5C
SCHEMBL7002920 0.63 AIP (0.70) AIPSGTATOMM70STIP1PPP5C

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-2009119088-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-10-01 WO disclosed