SCHEMBL28297946

SCHEMBL28297946

[CH2]CCCn1c(=O)[nH]c2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.69
HTT P42858 3/20 0.69
HPGD P15428 2/20 0.69
MAPT P10636 2/20 0.69
TSHR P16473 2/20 0.69
MAPK1 P28482 2/20 0.69
ALDH1A1 P00352 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
POLB P06746 1/20 0.64
MEN1 O00255 2/20 0.60
CYP1A2 P05177 2/20 0.60
KMT2A Q03164 2/20 0.60
RAB9A P51151 1/20 0.59
HTR7 P34969 5/20 0.57
P2RX7 Q99572 2/20 0.53
MLNR O43193 1/20 0.53
NR1I2 O75469 1/20 0.53
CHRM2 P08172 1/20 0.53
CYP3A4 P08684 1/20 0.53

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
SCHEMBL6494898 0.90 LMNA (0.64) LMNAHTTHPGDMAPTTSHR
SCHEMBL30947438 0.90 LMNA (0.78) LMNAHTTHPGDMAPTTSHR
SCHEMBL11632907 0.83 LMNA (0.69) LMNAHTTHPGDMAPTTSHR
SCHEMBL30277537 0.83 LMNA (0.69) LMNAHTTHPGDMAPTTSHR
SCHEMBL318787 0.83 LMNA (0.69) LMNAHTTHPGDMAPTTSHR
SCHEMBL6902600 0.83 RAB9A (0.72) LMNAHTTHPGDMAPTTSHR
SCHEMBL891454 0.83 LMNA (0.69) LMNAHTTHPGDMAPTTSHR
SCHEMBL318943 0.83 LMNA (0.69) LMNAHTTHPGDMAPTTSHR
SCHEMBL6397082 0.83 LMNA (0.69) LMNAHTTHPGDMAPTTSHR
SCHEMBL11049972 0.82 CYP1A2 (0.68) LMNAHTTHPGDMAPTTSHR

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-105037275-B The method for preparing Zilpaterol and its salt 英特威国际有限公司 2019-05-10 CN disclosed