SCHEMBL8920540

SCHEMBL8920540

[CH2]CCOc1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
TDP1 Q9NUW8 2/20 0.45
PLAU P00749 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
S1PR4 O95977 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
KDM4E B2RXH2 3/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.35
MAPK1 P28482 1/20 0.35
ORAI1 Q96D31 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 1/20 0.34
AHR P35869 1/20 0.34

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
SCHEMBL7076447 0.83 HPGD (0.41) MAPTTDP1PLAUL3MBTL1KDM4E
SCHEMBL1764470 0.81 CA1 (0.40) MAPTTDP1PLAUL3MBTL1SMN1; SMN2
SCHEMBL9348258 0.79 MAPT (0.46) MAPTTDP1PLAUL3MBTL1SMN1; SMN2
SCHEMBL9349699 0.77 MAPT (0.45) MAPTTDP1PLAUL3MBTL1SMN1; SMN2
SCHEMBL13261204 0.77 MAPT (0.49) MAPTTDP1PLAUL3MBTL1SMN1; SMN2
SCHEMBL9622239 0.77 PLAU (0.61) MAPTTDP1PLAUL3MBTL1SMN1; SMN2
SCHEMBL9324460 0.77 MAPT (0.45) MAPTTDP1PLAUL3MBTL1SMN1; SMN2
SCHEMBL6474960 0.77 KMT2A (0.48) MAPTL3MBTL1SMN1; SMN2KDM4ETSHR
SCHEMBL29054688 0.77 MAPT (0.42) MAPTTDP1PLAUL3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL10442699 0.76 PLAU (0.59) MAPTTDP1PLAUL3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0159584-B1 N-(AZOLYLCARBAMOYL)-HYDROXYL AMINES AND FUNGICIDES CONTAINING THEM BASF Aktiengesellschaft (DE) 1989-01-18 EP claimed
US-5591751-A CARBOSTYRIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-01-07 US disclosed
EP-0636128-A1 PIPERAZINOCARBONYLCARBOSTYRILS AS PERIPHERAL VASODILATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-02-01 EP disclosed
WO-1994019339-A1 PIPERAZINOCARBONYLCARBOSTYRILS AS PERIPHERAL VASODILATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-01 WO disclosed