SCHEMBL29233306

SCHEMBL29233306

CNc1c([N+](=O)[O-])cnc2c(OC(F)(F)F)cccc12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 5/20 0.40
ALDH1A1 P00352 3/20 0.38
TNF P01375 1/20 0.38
LITAF Q99732 1/20 0.38
MAPK1 P28482 1/20 0.38
PRKCQ Q04759 1/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MITF O75030 1/20 0.34

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
SCHEMBL23925083 0.81 PIN1 (0.45) PIN1ALDH1A1TNFLITAFPRKCQ
SCHEMBL29989486 0.81 PIN1 (0.45) PIN1ALDH1A1TNFLITAFPRKCQ
SCHEMBL29233308 0.80 TNF (0.39) TNFLITAF
SCHEMBL9602762 0.72 KMT2A (0.49) PIN1ALDH1A1MAPK1POLBMAPT
SCHEMBL8486730 0.70 MEN1 (0.49) ALDH1A1MAPK1POLBMAPTTDP1
SCHEMBL20547230 0.69 ALDH1A1 (0.50) PIN1ALDH1A1MAPK1MAPTTDP1
SCHEMBL25171413 0.69 MAPT (0.48) ALDH1A1MAPK1POLBMAPTGAA
SCHEMBL27843148 0.68 TDP1 (0.58) ALDH1A1MAPK1POLBMAPTTDP1
SCHEMBL29469206 0.67 ALDH1A1 (0.58) ALDH1A1POLBMAPTTDP1MEN1
SCHEMBL6112961 0.67 ALDH1A1 (0.58) ALDH1A1POLBMAPTTDP1MEN1

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-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
CN-112867714-A Pesticidal tricyclic compounds 巴斯夫欧洲公司 2021-05-28 CN disclosed