SCHEMBL30424809

SCHEMBL30424809

COc1ccc(-c2nc3c(C)cccc3[nH]2)cc1OC

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGAM O43451 11/20 0.79
GAA P10253 11/20 0.79
SI P14410 11/20 0.79
MGAM2 Q2M2H8 11/20 0.79
PARP1 P09874 5/20 0.67
ALOX5 P09917 1/20 0.58
EPHX2 P34913 1/20 0.58
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
HPSE Q9Y251 1/20 0.52
ESR1 P03372 1/20 0.51

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
SCHEMBL30425376 0.85 PARP1 (0.66) MGAMGAASIMGAM2PARP1
SCHEMBL8814874 0.83 PARP1 (0.63) MGAMGAASIMGAM2PARP1
SCHEMBL24141172 0.83 MGAM (0.77) MGAMGAASIMGAM2PARP1
SCHEMBL6056819 0.81 MGAM (0.68) MGAMGAASIMGAM2PARP1
SCHEMBL29400277 0.81 ALOX5 (0.55) MGAMGAASIMGAM2PARP1
SCHEMBL24266636 0.81 ALOX5 (0.55) MGAMGAASIMGAM2PARP1
SCHEMBL12470605 0.78 ALOX5 (0.70) GAAPARP1ALOX5EPHX2KDM4E
SCHEMBL5201575 0.78 MGAM (0.68) MGAMGAASIMGAM2KDM4E
SCHEMBL6056826 0.77 MGAM (0.77) MGAMGAASIMGAM2PARP1
SCHEMBL14012670 0.77 MGAM (0.65) MGAMGAASIMGAM2PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116075510-A 1H-benzo [ d ] imidazole derivatives as TLR9 inhibitors for the treatment of fibrosis 百时美施贵宝公司 2023-05-05 CN claimed
CN-116075510-A 1H-benzo [ d ] imidazole derivatives as TLR9 inhibitors for the treatment of fibrosis 百时美施贵宝公司 2023-05-05 CN disclosed