SCHEMBL12952839

SCHEMBL12952839

C/N=C(\C1=C(NCCCC(=O)Nc2sc(C)c(C)c2C(N)=O)CCCC1)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AIP O00170 1/20 0.54
▸ SGTA O43765 1/20 0.54
▸ TOMM70 O94826 1/20 0.54
▸ STIP1 P31948 1/20 0.54
▸ PPP5C P53041 1/20 0.54
▸ FKBP4 Q02790 1/20 0.54
▸ PPID Q08752 1/20 0.54
▸ FKBP5 Q13451 1/20 0.54
▸ FKBP8 Q14318 1/20 0.54
▸ TOMM34 Q15785 1/20 0.54
▸ DNAJC7 Q99615 1/20 0.54
▸ AIPL1 Q9NZN9 1/20 0.54
▸ STUB1 Q9UNE7 1/20 0.54
▸ ALDH1A1 P00352 10/20 0.46
▸ HPGD P15428 4/20 0.46
▸ MAPT P10636 4/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ APOBEC3G Q9HC16 1/20 0.46
▸ RXFP1 Q9HBX9 2/20 0.39
▸ LMNA P02545 3/20 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
SCHEMBL8004825 0.87 AIP (0.56) AIPSGTATOMM70STIP1PPP5C
SCHEMBL8004264 0.67 GRIN2C (0.48) ALDH1A1HPGDMAPTHSD17B10SMN1; SMN2
SCHEMBL1006092 0.67 ALDH1A1 (0.54) AIPSGTATOMM70STIP1PPP5C
SCHEMBL1009791 0.66 AIP (0.52) AIPSGTATOMM70STIP1PPP5C
SCHEMBL7003055 0.62 AIP (0.74) AIPSGTATOMM70STIP1PPP5C
SCHEMBL11324603 0.62 AIP (0.66) AIPSGTATOMM70STIP1PPP5C
SCHEMBL7002920 0.62 AIP (0.70) AIPSGTATOMM70STIP1PPP5C
SCHEMBL1889692 0.62 AIP (0.46) AIPSGTATOMM70STIP1PPP5C
SCHEMBL3453384 0.62 LMNA (0.64) ALDH1A1HPGDMAPTLMNASMN1; SMN2
SCHEMBL8004237 0.60 HDAC4 (0.49) KDM4ECYP3A4

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-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 — — EP disclosed
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