SCHEMBL11655083

SCHEMBL11655083

COC(=O)c1ccc2cc(Cl)ccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.61
PTPN11 Q06124 1/20 0.57
LCK P06239 1/20 0.54
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA12 O43570 2/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
CA14 Q9ULX7 2/20 0.52
XDH P47989 1/20 0.52
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
KDM4E B2RXH2 2/20 0.50
HPGD P15428 2/20 0.50
ABL1 P00519 1/20 0.50
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP19A1 P11511 1/20 0.50
CYP11B1 P15538 1/20 0.50

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
SCHEMBL69025 0.88 PTPN11 (0.68) PLAUPTPN11LCKCA1CA2
SCHEMBL29365729 0.88 PTPN11 (0.68) PLAUPTPN11LCKCA1CA2
SCHEMBL8732524 0.86 PTPN11 (0.66) PLAUPTPN11LCKCA1CA2
SCHEMBL17829703 0.85 PTPN11 (0.57) PLAUPTPN11LCKCA1CA2
SCHEMBL9979782 0.84 PTPN11 (0.64) PLAUPTPN11LCKCA1CA2
SCHEMBL4498737 0.83 PTPN11 (0.58) PLAUPTPN11LCKCA1CA2
SCHEMBL30362293 0.83 PTPN11 (0.58) PLAUPTPN11LCKCA1CA2
SCHEMBL709231 0.82 LCK (0.62) PTPN11LCKCA1CA2CA12
SCHEMBL1003761 0.81 KDM4E (0.62) PLAUPTPN11LCKCA1CA2
SCHEMBL264052 0.81 PTPN11 (0.60) PLAUPTPN11LCKCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103667202-B N ε-(1-methyl ring third-2-alkene acid amides)-Methionin translation system and application thereof INSTITUTE OF BIOPHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2016-01-13 CN disclosed
CN-103667202-A N<epsilon>-(1-methylcyclopropyl-2-acrylamide)-lysine translation system and application thereof INST BIOPHYSICS CN ACAD SCI 2014-03-26 CN disclosed
US-4107329-A Fluorinated compounds as therapeutics IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-08-15 US disclosed