SCHEMBL21753084

SCHEMBL21753084

CN1C(=O)[N]c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.49
CASP3 P42574 1/20 0.49
CASP4 P49662 1/20 0.49
CASP7 P55210 1/20 0.49
CASP9 P55211 1/20 0.49
CASP6 P55212 1/20 0.49
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 1/20 0.42
GABRA1 P14867 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL5540195 0.73 LMNA (0.40) GAALMNAGABRA1GABRG2GABRB3
SCHEMBL7996831 0.70 L3MBTL1 (0.66) CASP1CASP3CASP4CASP7CASP9
SCHEMBL2716686 0.69 CASP1 (0.41) CASP1CASP3CASP4CASP7CASP9
SCHEMBL9590694 0.69 CASP1 (0.54) CASP1CASP3CASP4CASP7CASP9
SCHEMBL26621563 0.69 CASP3 (0.77) CASP1CASP3CASP4CASP7CASP9
SCHEMBL28257016 0.69 L3MBTL1 (0.41) CASP1CASP3CASP4CASP7CASP9
SCHEMBL3599525 0.69 CASP1 (0.47) CASP1CASP3CASP4CASP7CASP9
SCHEMBL27828841 0.68 L3MBTL1 (0.54) CASP1CASP3CASP4CASP7CASP9
SCHEMBL2144620 0.68 CASP1 (0.49) CASP1CASP3CASP4CASP7CASP9
SCHEMBL26621424 0.68 ALDH1A1 (0.55) CASP1CASP3CASP4CASP7CASP9

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
EP-4110772-A1 TROPOMYOSIN RECEPTOR KINASE (TRK) DEGRADATION COMPOUNDS AND METHODS OF USE Cullgen (Shanghai), Inc. (CN) 2023-01-04 EP disclosed
EP-3841098-A1 TROPOMYOSIN RECEPTOR KINASE (TRK) DEGRADATION COMPOUNDS AND METHODS OF USE Cullgen (Shanghai), Inc. (CN) 2021-06-30 EP disclosed
WO-2020038415-A1 TROPOMYOSIN RECEPTOR KINASE (TRK) DEGRADATION COMPOUNDS AND METHODS OF USE CULLGEN (SHANGHAI), INC. (CN) 2020-02-27 WO disclosed