SCHEMBL28041145

SCHEMBL28041145

COC(=O)c1cc(Cl)cc2c1O[CH]C(=O)N2C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINH1 P50454 1/20 0.39
ABL1 P00519 1/20 0.36
SLC6A4 P31645 2/20 0.36
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
HTR3A P46098 1/20 0.36
PDE4D Q08499 1/20 0.36
KCNH2 Q12809 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SLC5A2 P31639 1/20 0.35
CASP3 P42574 1/20 0.35
SLC6A3 Q01959 1/20 0.35
ALDH1A1 P00352 5/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
USP2 O75604 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 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
SCHEMBL27946840 0.77 HTR2A (0.57) SERPINH1ABL1SLC6A4HTR2AHRH1
SCHEMBL7288365 0.76 SERPINH1 (0.38) SERPINH1ABL1SLC6A4HTR2AHRH1
SCHEMBL28041335 0.71 SERPINH1 (0.43) SERPINH1ABL1SLC6A4MEN1KMT2A
SCHEMBL7276013 0.70 DRD2 (0.51) SLC6A4HTR2AHRH1HTR3APDE4D
SCHEMBL18334560 0.64 GAA (0.47) SERPINH1MEN1KMT2AALDH1A1USP2
SCHEMBL1548735 0.64 NOTUM (0.42) SLC6A4HTR2AHRH1HTR3APDE4D
SCHEMBL2976075 0.64 MEN1 (0.56) SERPINH1ABL1SLC6A4CYP1A2MEN1
SCHEMBL12478771 0.63 SERPINH1 (0.40) SERPINH1ABL1SLC6A4MEN1KMT2A
SCHEMBL8364696 0.63 HTR3A (0.50) SERPINH1ABL1SLC6A4HTR3ASLC6A3
SCHEMBL25550068 0.62 ABL1 (0.49) SERPINH1ABL1SLC6A4MEN1KMT2A

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