SCHEMBL8700308

SCHEMBL8700308

CCc1cc(OC(=O)Nc2ccccc2)c(N2CCN(C(=O)OC(C)(C)C)CC2)nc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.48
KIT P10721 1/20 0.44
CKS1B P61024 2/20 0.44
SKP1 P63208 2/20 0.44
SKP2 Q13309 2/20 0.44
GBA1 P04062 2/20 0.44
NAMPT P43490 1/20 0.43
TLR9 Q9NR96 4/20 0.43
TLR7 Q9NYK1 2/20 0.43
ACHE P22303 1/20 0.43
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
ESR2 Q92731 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
NR2F2 P24468 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL6964672 0.84 KIT (0.44) PTPN11KITCKS1BSKP1SKP2
SCHEMBL8699207 0.83 GAA (0.41) ACHEMAPTALDH1A1HTTMEN1
SCHEMBL9016294 0.76 KIT (0.46) PTPN11KITCKS1BSKP1SKP2
SCHEMBL8699714 0.76 MAPT (0.50) TLR9TLR7MAPTALDH1A1LMNA
SCHEMBL6955265 0.75 GBA1 (0.48) PTPN11KITCKS1BSKP1SKP2
SCHEMBL8699373 0.72 MAPT (0.47) NAMPTMAPTALDH1A1HTTMEN1
SCHEMBL6956245 0.72 NAMPT (0.42) KITNAMPTTLR9MAPTSMN1; SMN2
SCHEMBL6965376 0.71 MAPT (0.44) NAMPTTLR9TLR7MAPTSMN1; SMN2
SCHEMBL6942730 0.71 GAA (0.69) PTPN11NAMPTMAPTSMN1; SMN2ALDH1A1
SCHEMBL31652099 0.70 TLR9 (0.54) KITCKS1BSKP1SKP2GBA1

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-5780472-A ANTITUMOR AGENTS SAMJIN PHARMACEUTICAZL CO., LTD. (KR) 1998-07-14 US disclosed