SCHEMBL27872190

SCHEMBL27872190

NCc1cc(Cl)ccc1NC(=O)CCCl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.49
GAA P10253 2/20 0.49
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB1 P18505 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 0.43
GABRA4 P48169 2/20 0.43
GABRE P78334 2/20 0.43
GABRA6 Q16445 2/20 0.43
GABRG1 Q8N1C3 2/20 0.43
GABRG3 Q99928 2/20 0.43
GABRQ Q9UN88 2/20 0.43

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
SCHEMBL27888505 0.88 ALDH1A1 (0.47) POLBGAAMEN1KMT2AGABRP
Hydrochloric Acid SCHEMBL1016071 0.82 MEN1 (0.56) POLBGAAMEN1KMT2AGABRP
SCHEMBL1197183 0.81 POLB (0.42) POLBGAAMEN1KMT2AGABRP
SCHEMBL11730485 0.81 HPGD (0.59) POLBGAAMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL4296540 0.80 GABRP (0.42) POLBGAAMEN1KMT2AGABRP
Hydrochloric Acid SCHEMBL1016808 0.76 ALDH1A1 (0.47) POLBGAAMEN1KMT2AGABRP
Hydrochloric Acid SCHEMBL1019910 0.76 HPGD (0.46) GAAMEN1KMT2AGABRPGABRD
Hydrochloric Acid SCHEMBL1016791 0.75 TSHR (0.49) POLBGAAMEN1KMT2AGABRP
SCHEMBL27714358 0.75 CYP2A6 (0.42) GAAMEN1KMT2ATSHRKDM4E
SCHEMBL21791607 0.73 ALDH1A1 (0.53) POLBGAAMEN1KMT2ATSHR

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-102659615-A Derivatives of oseltamivir, and method and medical application thereof UNIV CHINA PHARMA 2012-09-12 CN disclosed