SCHEMBL29989596

SCHEMBL29989596

Nc1ccc2cccnc2c1N

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.65
MAPT P10636 4/20 0.65
HSP90AA1 P07900 3/20 0.65
CCR1 P32246 3/20 0.65
CCR5 P51681 3/20 0.65
CCR8 P51685 3/20 0.65
HTT P42858 2/20 0.65
HIF1A Q16665 2/20 0.65
MMP2 P08253 2/20 0.65
TSHR P16473 2/20 0.65
KDM4E B2RXH2 2/20 0.65
TDP1 Q9NUW8 2/20 0.65
CYP3A4 P08684 2/20 0.65
GMNN O75496 1/20 0.65
TP53 P04637 1/20 0.65
CYP2D6 P10635 1/20 0.65
MMP9 P14780 1/20 0.65
ALOX15 P16050 1/20 0.65
NFKB1 P19838 1/20 0.65
MMP8 P22894 1/20 0.65

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
SCHEMBL9374479 1.00 LMNA (0.65) LMNAMAPTHSP90AA1CCR1CCR5
SCHEMBL1670591 0.81 CCR1 (0.58) LMNAMAPTHSP90AA1CCR1CCR5
SCHEMBL10087891 0.81 HSP90AA1 (0.58) LMNAMAPTHSP90AA1CCR1CCR5
SCHEMBL22028395 0.81 LMNA (0.58) LMNAMAPTHSP90AA1CCR1CCR5
SCHEMBL3070366 0.81 LMNA (0.63) LMNAMAPTHSP90AA1CCR1CCR5
SCHEMBL6142549 0.81 LMNA (0.58) LMNAMAPTHSP90AA1CCR1CCR5
Phenanthroline SCHEMBL29354015 0.80 CCR1 (1.00) LMNAMAPTHSP90AA1CCR1CCR5
Phenanthroline SCHEMBL8312 0.80 CCR1 (1.00) LMNAMAPTHSP90AA1CCR1CCR5
Phenanthroline SCHEMBL8845760 0.80 CCR1 (1.00) LMNAMAPTHSP90AA1CCR1CCR5
Phenanthroline SCHEMBL29367277 0.80 CCR1 (1.00) LMNAMAPTHSP90AA1CCR1CCR5

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-112867714-B Pesticidal tricyclic compounds 巴斯夫欧洲公司 2024-06-11 CN disclosed
EP-4136086-A1 TRICYCLIC PESTICIDAL COMPOUNDS BASF SE (DE) 2023-02-22 EP disclosed
CN-115427408-A Pesticidal tricyclic compounds 巴斯夫欧洲公司 2022-12-02 CN disclosed