SCHEMBL28041335

SCHEMBL28041335

COC(=O)c1cc(Cl)cc2c1O[CH]C(=O)N2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINH1 P50454 1/20 0.43
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ABL1 P00519 1/20 0.37
PDK2 Q15119 1/20 0.36
NR4A2 P43354 2/20 0.36
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 3/20 0.34
HPGD P15428 2/20 0.34
HTT P42858 2/20 0.34
KDM4E B2RXH2 1/20 0.34
XBP1 P17861 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ROCK2 O75116 1/20 0.34
CSF1R P07333 1/20 0.34
KDR P35968 1/20 0.34
FLT3 P36888 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
SCHEMBL7278933 0.77 BRD4 (0.43) SERPINH1MEN1KMT2AABL1PDK2
SCHEMBL7281163 0.77 PDE3B (0.43) SERPINH1MEN1KMT2AABL1NR4A2
SCHEMBL7288542 0.76 SERPINH1 (0.41) SERPINH1MEN1KMT2AABL1PDK2
SCHEMBL28041145 0.71 SERPINH1 (0.39) SERPINH1MEN1KMT2AABL1SLC6A4
SCHEMBL7269670 0.69 SERPINH1 (0.40) SERPINH1MEN1KMT2AABL1PDK2
SCHEMBL18334561 0.68 SERPINH1 (0.39) SERPINH1MEN1KMT2AABL1NR4A2
SCHEMBL7410744 0.68 SERPINH1 (0.39) SERPINH1MEN1KMT2AABL1PDK2
SCHEMBL12478771 0.67 SERPINH1 (0.40) SERPINH1MEN1KMT2AABL1PDK2
SCHEMBL12478267 0.66 NPSR1 (0.40) SERPINH1ABL1ALDH1A1MAPTHPGD
SCHEMBL8115538 0.65 SERPINH1 (0.43) SERPINH1MEN1KMT2AABL1PDK2

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-105001178-A Azasetron hydrochloride intermediate synthesis method SHANGHAI SINE WANXIANG PHARM CO LTD 2015-10-28 CN disclosed