SCHEMBL9850798

SCHEMBL9850798

CCOC(=O)CCCCN1CCc2ccsc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 6/20 0.41
NOTUM Q6P988 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NAMPT P43490 1/20 0.38
BRD4 O60885 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
KAT2B Q92831 1/20 0.38
FAAH O00519 1/20 0.38
LMNA P02545 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
ALDH1A1 P00352 1/20 0.36
AOC3 Q16853 2/20 0.36

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
SCHEMBL5940440 0.76 NOTUM (0.62) NOTUMNAMPTLMNAMAPTMEN1
SCHEMBL5940278 0.72 NOTUM (0.43) TNFNOTUMNAMPTBRD4HTR2A
Hydrochloric Acid SCHEMBL9094242 0.70 NOTUM (0.39) TNFNOTUMHSD17B10NAMPTBRD4
SCHEMBL5940371 0.69 NOTUM (0.56) NOTUMDRD2MEN1KMT2AALDH1A1
SCHEMBL8032994 0.68 AOC3 (0.49) TNFNOTUMHTR1AAOC3
SCHEMBL19510855 0.68 NOTUM (0.44) TNFNOTUMBRD4HTR2ALMNA
SCHEMBL1127803 0.68 PAOX (0.59) HSD17B10NAMPTLMNAMEN1KMT2A
SCHEMBL3003136 0.68 NOS3 (0.46) HSD17B10BRD4LMNARXFP1MAPT
SCHEMBL6856898 0.67 CYP4F2 (0.43) TNFNOTUMHSD17B10BRD4LMNA
SCHEMBL7466378 0.67 SMN1; SMN2 (0.50) TNFHSD17B10FAAHMAPTSMN1; 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
EP-0416740-A2 Novel compounds with renin-inhibiting activity Beecham Group p.l.c. (GB) 1991-03-13 EP disclosed