SCHEMBL28895381

SCHEMBL28895381

CCOC(=O)Cc1sc2ccc([N+](=O)[O-])cc2c1C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
LMNA P02545 2/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 5/20 0.42
GAA P10253 2/20 0.42
MAPK1 P28482 1/20 0.42
PKM P14618 2/20 0.42
POLB P06746 1/20 0.42
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 1/20 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
SCHEMBL11243088 0.80 LMNA (0.49) MAPTLMNAKMT2AMEN1HTT
SCHEMBL6586596 0.77 MAPT (0.44) MAPTLMNAKMT2AMEN1HTT
SCHEMBL7818905 0.77 MAPT (0.44) MAPTLMNAKMT2AMEN1HTT
SCHEMBL11804496 0.75 CYP1A2 (0.42) MAPTLMNAKMT2AMEN1KDM4E
SCHEMBL18893615 0.74 MAPT (0.52) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL9080129 0.73 MAPT (0.52) MAPTLMNAKMT2AMEN1HTT
SCHEMBL7222234 0.73 MAPT (0.66) MAPTLMNAKMT2AMEN1HTT
SCHEMBL1063565 0.72 ALDH1A1 (0.56) MAPTLMNAKMT2AMEN1HTT
SCHEMBL398701 0.71 LMNA (0.73) MAPTLMNAKMT2AMEN1HTT
SCHEMBL2189271 0.71 EGFR (0.51) MAPTLMNAKMT2AMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107619384-B Benzo-heterocycle derivative, preparation method and application thereof in medicine 江苏恒瑞医药股份有限公司 2020-07-28 CN disclosed