SCHEMBL2554566

SCHEMBL2554566

CCCCNSc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
PAX8 Q06710 1/20 0.44
HTT P42858 3/20 0.40
TSHR P16473 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 2/20 0.39
NPSR1 Q6W5P4 2/20 0.38
GAA P10253 1/20 0.38
ALOX12 P18054 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
NAAA Q02083 1/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HDAC3 O15379 4/20 0.37
HDAC1 Q13547 2/20 0.37

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
SCHEMBL8604423 0.94 SIGMAR1 (0.47) LMNAPAX8HTTSIGMAR1ALDH1A1
SCHEMBL22679713 0.89 HDAC1 (0.46) LMNAPAX8HTTTSHRSIGMAR1
SCHEMBL19663483 0.83 SOAT2 (0.47) NAAA
SCHEMBL28450099 0.82 HPGD (0.47) LMNAHTTTSHRALDH1A1MAPT
SCHEMBL29269867 0.81 LMNA (0.44) LMNAPAX8HTTALDH1A1MAPT
SCHEMBL24938149 0.80 HDAC3 (0.44) LMNAHTTTSHRALDH1A1MAPT
SCHEMBL25098478 0.79 MAOA (0.39) ALDH1A1MAPTHPGD
SCHEMBL18573441 0.79 NPC1 (0.45) SIGMAR1ALDH1A1POLBKMT2A
SCHEMBL7362589 0.78 ALDH1A1 (0.40) LMNASIGMAR1ALDH1A1MAPTGAA
SCHEMBL24196880 0.76 DRD2 (0.40) SIGMAR1ALDH1A1MAPTPOLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112479950-B Preparation process of PIN1 inhibitor 烟台共进医药科技有限公司 2023-03-10 CN disclosed
US-11174449-B2 Seal swell agents for lubricating compositions THE LUBRIZOL CORPORATION (US) 2021-11-16 US disclosed
CN-112479950-A Preparation process of novel PIN1 inhibitor 烟台共进医药科技有限公司 2021-03-12 CN disclosed
US-20190292478-A1 SEAL SWELL AGENTS FOR LUBRICATING COMPOSITIONS THE LUBRIZOL CORPORATION 2019-09-26 US disclosed
EP-3380591-B1 SEAL SWELL AGENTS FOR LUBRICATING COMPOSITIONS LUBRIZOL CORP (US) 2019-07-10 EP disclosed
WO-2011127339-A1 GROUP 4 TRANSITION METAL COMPLEX WITH A MONOANIONIC LIGAND AND OLEFIN POLYMERIZATION CATALYST COMPRISING THE SAME EQUISTAR CHEMICALS, LP (US) 2011-10-13 WO disclosed
JP-2003026627-A NEW METHOD FOR CATALYTIC OXIDATION OF ALCOHOL TOKYO KASEI KOGYO KK 2003-01-29 JP disclosed