SCHEMBL27479366

SCHEMBL27479366

COC(=O)Cc1ccccc1NC(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 1/20 0.54
▸ ALDH1A1 P00352 5/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ MAPT P10636 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ GRIN2D O15399 1/20 0.43
▸ GRIN3B O60391 1/20 0.43
▸ GRIN1 Q05586 1/20 0.43
▸ GRIN2A Q12879 1/20 0.43
▸ GRIN2B Q13224 1/20 0.43
▸ GRIN2C Q14957 1/20 0.43
▸ GRIN3A Q8TCU5 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ TSHR P16473 2/20 0.42
▸ NR1H4 Q96RI1 1/20 0.42
▸ HPGD P15428 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ NOS3 P29474 1/20 0.41
▸ NOS1 P29475 1/20 0.41

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
SCHEMBL14592349 0.86 TSHR (0.54) CFDALDH1A1KDM4EHSD17B10TSHR
SCHEMBL11989069 0.82 KDM4E (0.50) CFDALDH1A1KDM4EMAPTHSD17B10
SCHEMBL23618507 0.82 CFD (0.48) CFDALDH1A1KDM4EMAPTTSHR
SCHEMBL1554320 0.81 KDM4E (0.53) CFDALDH1A1KDM4EMAPTHSD17B10
SCHEMBL7039814 0.81 ALDH1A1 (0.49) CFDALDH1A1MAPTGAAHSD17B10
SCHEMBL10747363 0.81 TSHR (0.47) ALDH1A1KDM4EMAPTGAAHSD17B10
SCHEMBL7040734 0.81 CFD (0.50) CFDALDH1A1MAPTGAAHSD17B10
SCHEMBL9724473 0.80 CXCL8 (0.57) CFDALDH1A1NR1H4HPGD
SCHEMBL7039813 0.80 MASP2 (0.54) CFDALDH1A1MAPTGAAHSD17B10
SCHEMBL1953684 0.80 MAPT (0.62) ALDH1A1MAPTGAAGRIN2DGRIN3B

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
CN-1143362-A Novel benzodizaepine derivative SHIONOGI & CO (JP) 1997-02-19 — — CN disclosed
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