SCHEMBL8568345

SCHEMBL8568345

Cc1cccc(OCC(Br)(Br)Br)c1OCC(Br)(Br)Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.41
SCN4A P35499 9/20 0.39
LMNA P02545 2/20 0.39
SCN1A P35498 2/20 0.39
SCN5A Q14524 2/20 0.39
SCN9A Q15858 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
NFKB1 P19838 2/20 0.39
SCN8A Q9UQD0 2/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
KCNK3 O14649 1/20 0.39
CACNA1F O60840 1/20 0.39
KCNK2 O95069 1/20 0.39
GBA1 P04062 1/20 0.39
MAOA P21397 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL8570866 0.83 PTPN1 (0.41) PTPN1SCN4ALMNASCN1ASCN5A
SCHEMBL8571629 0.83 PTPN1 (0.41) PTPN1SCN4ALMNASCN1ASCN5A
SCHEMBL8570154 0.78 GABRA1 (0.41) LMNATSHRKCNH2ALDH1A1SMN1; SMN2
SCHEMBL2522911 0.74 ALDH1A1 (0.47) PTPN1SCN4ALMNASCN1ASCN5A
SCHEMBL23977889 0.73 SMN1; SMN2 (0.39) PTPN1SCN4ALMNASCN1ASCN5A
SCHEMBL10915804 0.72 PTPN1 (0.44) PTPN1SCN4ALMNASCN1ASCN5A
SCHEMBL12250977 0.71 SCN4A (0.48) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL16280979 0.69 SCN4A (0.47) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL10458228 0.69 HTR1A (0.45) PTPN1SCN4ALMNASCN8ATSHR
SCHEMBL6709141 0.69 CYP1A2 (0.52) LMNACYP1A2SCN8ACYP2C9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5728641-A Catalyst component for the polymerization of olefins NIPPON OIL COMPANY, LIMITED (JP) 1998-03-17 US disclosed
EP-0587440-A2 Catalyst component for the polymerisation of olefins and process for preparing olefin polymers using same NIPPON OIL COMPANY, LIMITED (JP) 1994-03-16 EP disclosed