SCHEMBL30409248

SCHEMBL30409248

Oc1ccc2ccccc2c1-c1cc2cc(F)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.47
MAPT P10636 3/20 0.46
FLT3 P36888 3/20 0.46
ITK Q08881 2/20 0.45
HPN P05981 3/20 0.43
CYP1A1 P04798 2/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
TDP1 Q9NUW8 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
PDPK1 O15530 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
APEX1 P27695 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL19608948 0.85 KDM4E (0.53) DAOMAPTITKTDP1KDM4E
SCHEMBL30409436 0.85 KDM4E (0.53) DAOMAPTITKTDP1KDM4E
SCHEMBL30409174 0.83 CYP19A1 (0.54) MAPTHPNHSP90AA1HSP90AB1TDP1
SCHEMBL30410032 0.83 HPN (0.46) MAPTHPNHSP90AA1TDP1KDM4E
SCHEMBL8964895 0.73 KDM4E (0.60) DAOMAPTFLT3ITKTDP1
SCHEMBL10831846 0.72 CYP1A1 (0.61) MAPTFLT3ITKCYP1A1TDP1
SCHEMBL4887738 0.71 KDM4E (0.64) MAPTFLT3ITKCYP1A1TDP1
SCHEMBL5367030 0.69 HSD17B1 (0.44) DAOMAPTHSP90AA1HSP90AB1CYP2C19
Methane SCHEMBL28844909 0.69 KDM4E (0.62) MAPTFLT3ITKCYP1A1TDP1
SCHEMBL29362162 0.69 PTPN22 (0.65) MAPTTDP1KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116102562-B Naphtho [2,1-b ] indolo [2,3-d ] cyclooctalactone derivative and preparation method thereof 江苏师范大学 2024-11-26 CN claimed
CN-116102562-A Naphtho [2,1-b ] indolo [2,3-d ] cyclooctalactone derivative and preparation method thereof 江苏师范大学 2023-05-12 CN claimed
CN-116102562-B Naphtho [2,1-b ] indolo [2,3-d ] cyclooctalactone derivative and preparation method thereof 江苏师范大学 2024-11-26 CN disclosed
CN-116102562-A Naphtho [2,1-b ] indolo [2,3-d ] cyclooctalactone derivative and preparation method thereof 江苏师范大学 2023-05-12 CN disclosed