SCHEMBL19788893

SCHEMBL19788893

C[C@@H](O)C(=O)Nc1nn(C)c2c(C(C)(C)C)ccc(Cl)c12

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 3/20 0.34
▸ LMNA P02545 2/20 0.33
▸ MAPT P10636 5/20 0.33
▸ GAA P10253 3/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ MAPK13 O15264 1/20 0.32
▸ MAPK12 P53778 1/20 0.32
▸ MAPK11 Q15759 1/20 0.32
▸ CASP1 P29466 2/20 0.31
▸ CASP7 P55210 2/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ THRB P10828 1/20 0.31

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
SCHEMBL24997738 1.00 MAPK14 (0.34) MAPK14LMNAMAPTGAASMN1; SMN2
SCHEMBL19788774 0.92 CASP1 (0.38) MAPK14LMNAMAPTGAASMN1; SMN2
SCHEMBL19788776 0.88 MAPK14 (0.34) MAPK14LMNAMAPTGAASMN1; SMN2
SCHEMBL20079064 0.85 ALDH1A1 (0.41) MAPK14LMNAMAPTGAASMN1; SMN2
SCHEMBL19788778 0.84 CDK8 (0.36) MAPK14LMNAMAPTGAASMN1; SMN2
SCHEMBL16006485 0.84 MAPT (0.37) LMNAMAPTGAASMN1; SMN2KDM4E
SCHEMBL16006561 0.84 MAPT (0.37) LMNAMAPTGAASMN1; SMN2KDM4E
SCHEMBL19788827 0.83 CNR2 (0.35) MAPK14LMNAMAPTGAASMN1; SMN2
SCHEMBL22885167 0.83 MAPT (0.33) MAPK14LMNAMAPTGAASMN1; SMN2
SCHEMBL19788828 0.82 KDM4E (0.36) MAPK14LMNAMAPTGAASMN1; SMN2

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-9873680-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2018-01-23 — — US disclosed
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