SCHEMBL28340952

SCHEMBL28340952

Cc1c(NC(=O)CCl)c(=O)n(-c2ccccc2)n1C

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.82
GAA P10253 3/20 0.70
KDM4E B2RXH2 1/20 0.69
POLB P06746 3/20 0.68
MAPT P10636 2/20 0.68
LMNA P02545 2/20 0.68
L3MBTL1 Q9Y468 4/20 0.67
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
F2 P00734 1/20 0.64
ALDH1A1 P00352 1/20 0.64
HPGD P15428 1/20 0.63
ATM Q13315 1/20 0.63

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
SCHEMBL28880300 0.86 TSHR (0.81) TSHRGAAKDM4EPOLBMAPT
SCHEMBL16026455 0.83 MAPT (0.82) TSHRGAAKDM4EPOLBMAPT
SCHEMBL31488466 0.83 TSHR (0.76) TSHRGAAKDM4EPOLBMAPT
SCHEMBL5050992 0.83 TSHR (0.76) TSHRGAAKDM4EPOLBMAPT
SCHEMBL28880361 0.82 KDM4E (1.00) TSHRGAAKDM4EPOLBMAPT
SCHEMBL29506259 0.81 CNR1 (0.78) TSHRGAAKDM4EPOLBMAPT
SCHEMBL30410560 0.81 TSHR (0.72) TSHRGAAKDM4EPOLBMAPT
SCHEMBL18751343 0.80 TSHR (0.71) TSHRGAAKDM4EPOLBMAPT
SCHEMBL11887626 0.80 TSHR (0.71) TSHRGAAKDM4EPOLBMAPT
SCHEMBL14428441 0.80 FPR2 (0.88) TSHRPOLBMAPTL3MBTL1MEN1

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-111777597-A Anti-hepatic fibrosis compound, preparation method and application 江西省医学科学院 2020-10-16 CN claimed
CN-110627774-A Anti-hepatic fibrosis compound, preparation method and application 江西省医学科学院 2019-12-31 CN claimed
CN-111777597-A Anti-hepatic fibrosis compound, preparation method and application 江西省医学科学院 2020-10-16 CN disclosed
CN-110627774-A Anti-hepatic fibrosis compound, preparation method and application 江西省医学科学院 2019-12-31 CN disclosed