SCHEMBL28158014

SCHEMBL28158014

O=P(Cc1cccs1)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HPGD P15428 1/20 0.45
ALDH1A1 P00352 5/20 0.44
GAA P10253 3/20 0.44
HTT P42858 2/20 0.44
MAPT P10636 1/20 0.44
ALPG P10696 1/20 0.44
ALOX12 P18054 1/20 0.44
NPY1R P25929 1/20 0.44
NPY2R P49146 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
USP2 O75604 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SLC6A3 Q01959 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
SCHEMBL27860426 0.80 TAAR1 (0.47) POLBTDP1HPGDALDH1A1HTT
Hydrochloric Acid SCHEMBL28161994 0.78 TAAR1 (0.45) POLBTDP1HPGDALDH1A1HTT
SCHEMBL4134981 0.74 CYP2C19 (0.47) POLBTDP1HPGDALDH1A1TAAR1
SCHEMBL25374097 0.71 RAB9A (0.46) POLBTDP1HPGDALDH1A1TAAR1
SCHEMBL8083549 0.70 SRC (0.47) POLBTDP1HPGDALDH1A1CYP2C19
SCHEMBL518265 0.70 CYP3A4 (0.68) HPGDALDH1A1GAAHTTMAPT
SCHEMBL755028 0.70 CYP3A4 (0.68) HPGDALDH1A1GAAHTTMAPT
SCHEMBL752826 0.70 HTT (0.66) HPGDALDH1A1GAAHTTMAPT
SCHEMBL27455836 0.69 TSHR (0.71) POLBTDP1HPGDALDH1A1GAA
SCHEMBL5570426 0.69 ALDH1A1 (0.64) ALDH1A1GAAHTTMAPTALPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110294776-B Method for preparing aryl phosphine oxide derivative 苏州大学 2021-12-10 CN disclosed
CN-109678901-B Synthesis method of tri-substituted phosphine oxide compound 信阳师范学院 2021-05-28 CN disclosed
CN-110294776-A A method of preparing aryl oxide phosphine-derivatives 苏州大学 2019-10-01 CN disclosed
CN-109678901-A A kind of three replace the synthetic method of phosphine oxide compound 信阳师范学院 2019-04-26 CN disclosed
CN-107021982-A The synthetic method of three substitution phosphine oxide compounds or three two phosphine oxide compounds of substitution 温州大学 2017-08-08 CN disclosed