SCHEMBL8074200

SCHEMBL8074200

COC(=O)C(Cc1ccc(O)c(C(C)(C)C)c1)n1nc2ccccc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LCK P06239 1/20 0.37
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
HSP90AA1 P07900 2/20 0.36
HSP90AB1 P08238 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 1/20 0.36
XBP1 P17861 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HDAC8 Q9BY41 2/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 2/20 0.35
MDM4 O15151 1/20 0.35

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
SCHEMBL7696205 0.88 HSP90AA1 (0.39) LCKHSP90AA1HSP90AB1L3MBTL1GAA
SCHEMBL7689789 0.78 HDAC8 (0.39) NPC1HSP90AA1HSP90AB1HDAC8MDM2
SCHEMBL9845235 0.76 LCK (0.43) RAB9ALCKMMP1MMP2MMP3
SCHEMBL4963554 0.75 PPARG (0.46) LCKMMP1MMP2MMP3MMP9
SCHEMBL28474375 0.75 HSP90AA1 (0.36) HSP90AA1HSP90AB1L3MBTL1GAAXBP1
SCHEMBL4145724 0.74 ATM (0.43) LCKMMP1MMP2MMP3MMP9
SCHEMBL3969785 0.74 TNF (0.41) RAB9AHSP90AA1HSP90AB1POLBMAPT
SCHEMBL28861006 0.72 ALDH1A1 (0.42) NPC1RAB9AHSP90AA1HSP90AB1GAA
SCHEMBL7696200 0.71 APP (0.40) HSP90AA1HSP90AB1GAAPOLBMAPT
SCHEMBL2836826 0.70 HSP90AA1 (0.38) HSP90AA1HSP90AB1POLBMAPTALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210163710-A1 USE OF AN ULTRAVIOLET RADIATION ABSORBING COMPOSITION AS A LIGHT STABILIZER FOR A SHAPED ARTIFICIAL POLYMER ARTICLE BASF SE (DE) 2021-06-03 US claimed
EP-1023412-A1 COATING COMPOSITIONS CONTAINING NON-AQUEOUS DISPERSED POLYMER, A SILANE FUNCTIONAL ACRYLIC POLYMER AND A TRIAZINE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2000-08-02 EP disclosed
WO-1999019411-A1 COATING COMPOSITIONS CONTAINING NON-AQUEOUS DISPERSED POLYMER, A SILANE FUNCTIONAL ACRYLIC POLYMER AND A TRIAZINE E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-04-22 WO disclosed