SCHEMBL21722392

SCHEMBL21722392

Cc1cc(C)c(N2C=[N+](c3c(C)cc(C)cc3C)CCC2)c(C)c1.[Pt]

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL29603795 0.98 ALDH1A1 (0.34) ALDH1A1POLBMAPTHTTSMN1; SMN2
Bromide SCHEMBL4539689 0.97 ALDH1A1 (0.33) ALDH1A1POLBMAPTHTTSMN1; SMN2
SCHEMBL29603410 0.97 ALDH1A1 (0.33) ALDH1A1POLBMAPTHTTSMN1; SMN2
SCHEMBL6098447 0.92 ALDH1A1 (0.31) ALDH1A1POLBMAPTHTTSMN1; SMN2
SCHEMBL442095 0.88 ALDH1A1 (0.33) ALDH1A1POLBMAPTHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL442699 0.86 ALDH1A1 (0.32) ALDH1A1POLBMAPTHTTSMN1; SMN2
Bromide SCHEMBL1608734 0.86 ALDH1A1 (0.32) ALDH1A1POLBMAPTHTTSMN1; SMN2
SCHEMBL18287206 0.84
SCHEMBL819057 0.82
SCHEMBL28731966 0.80 ALDH1A1 (0.33) ALDH1A1MAPTHTT

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-3837317-A1 CROSSLINKABLE ORGANOSILOXANE COMPOSITIONS Wacker Chemie AG (DE) 2021-06-23 EP disclosed
EP-3837305-A1 CROSSLINKABLE ORGANOSILOXANE COMPOSITIONS Wacker Chemie AG (DE) 2021-06-23 EP disclosed
WO-2020035149-A1 CROSSLINKABLE ORGANOYSILOXANE COMPOSITIONS WACKER CHEMIE AG (DE) 2020-02-20 WO disclosed
WO-2020035152-A1 CROSSLINKABLE ORGANOSILOXANE COMPOSITIONS WACKER CHEMIE AG (DE) 2020-02-20 WO disclosed