SCHEMBL28972751

SCHEMBL28972751

O=C(O)Cc1cccc2cc3cc4cc5cc6cc7cc8cc9cc%10cc%11cc%12cc%13cc%14cc%15cc%16ccccc%16cc%15cc%14cc%13cc%12cc%11cc%10cc9cc8cc7cc6cc5cc4cc3cc12

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.68
AKR1B1 P15121 2/20 0.50
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 4/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
CYP1A2 P05177 2/20 0.44
GLA P06280 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP2C19 P33261 1/20 0.44
CXCL8 P10145 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
SCHEMBL29706153 0.98 TDP1 (0.70) TDP1AKR1B1KDM4EALDH1A1GAA
SCHEMBL1629133 0.98 TDP1 (0.70) TDP1AKR1B1KDM4EALDH1A1GAA
Water SCHEMBL27719689 0.96 TDP1 (0.68) TDP1AKR1B1KDM4EALDH1A1GAA
SCHEMBL31484059 0.84 KDM4E (0.54) TDP1KDM4EALDH1A1GAAMEN1
SCHEMBL1567996 0.84 TDP1 (0.50) TDP1KDM4EALDH1A1GAAMEN1
SCHEMBL31362106 0.83 TDP1 (0.46) TDP1KDM4EALDH1A1GAAMEN1
SCHEMBL30532048 0.83 PTGER1 (0.50) TDP1AKR1B1KDM4EALDH1A1GAA
SCHEMBL26628647 0.82 TDP1 (0.49) TDP1KDM4EALDH1A1GAAMEN1
SCHEMBL2243225 0.81 TDP1 (0.49) TDP1KDM4EALDH1A1GAAMEN1
SCHEMBL15542170 0.81 TDP1 (0.45) TDP1KDM4EALDH1A1GAAMEN1

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
CN-111566108-B Heterocyclic compound and harmful arthropod control agent containing same 住友化学株式会社 2023-03-28 CN disclosed
CN-115772120-A Heterocyclic compound and noxious arthropod control agent containing same 住友化学株式会社 2023-03-10 CN disclosed
CN-111712497-B Heterocyclic compound and noxious arthropod control agent containing same 住友化学株式会社 2022-10-18 CN disclosed