SCHEMBL9525829

SCHEMBL9525829

COc1c(N)cc(Br)c(F)c1N1CCN(C)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HTR6 P50406 1/20 0.36
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
DRD3 P35462 1/20 0.35
MAPK1 P28482 2/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
PTK2B Q14289 1/20 0.35
POLB P06746 2/20 0.34
ADRA2C P18825 2/20 0.34
HRH4 Q9H3N8 2/20 0.34
FYN P06241 1/20 0.33

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
SCHEMBL9521560 0.78 MAPT (0.54) MAPTL3MBTL1ALDH1A1HTR6MAPK1
SCHEMBL9521928 0.75 ALDH1A1 (0.43) MAPTL3MBTL1ALDH1A1HTR1ADRD2
SCHEMBL9522305 0.72 MAPT (0.46) MAPTALDH1A1HTR6HTR1ADRD2
SCHEMBL31220765 0.70 MAPT (0.55) MAPTL3MBTL1ALDH1A1MAPK1KDM4E
SCHEMBL27565044 0.70 DRD2 (0.46) MAPTALDH1A1HTR6DRD2HTR2C
SCHEMBL12714783 0.69 ALDH1A1 (0.54) MAPTL3MBTL1ALDH1A1HTR1ADRD2
SCHEMBL12491827 0.69 POLB (0.53) MAPTL3MBTL1ALDH1A1HTR6HTR1A
SCHEMBL29789731 0.68 ALDH1A1 (0.57) MAPTL3MBTL1ALDH1A1HTR6MAPK1
SCHEMBL20605208 0.68 ALDH1A1 (0.57) MAPTL3MBTL1ALDH1A1HTR6MAPK1
SCHEMBL13958141 0.68 MAPT (0.52) MAPTL3MBTL1ALDH1A1MAPK1KDM4E

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
EP-0249043-B1 QUINOLINECARBOXYLIC ACID DERIVATIVES NIPPON SHINYAKU COMPANY, LIMITED (JP) 1993-08-04 EP disclosed
US-5086049-A Bactericides NIPPONSHINYAKU CO., LTD. (JP) 1992-02-04 US disclosed
US-4843070-A BACTERIDCIDES, FUNGICIDES NIPPON SHINYAKU CO., LTD. (JP) 1989-06-27 US disclosed