SCHEMBL8569403

SCHEMBL8569403

BrC(Br)(Br)C(Br)(Br)CCCCCCc1ccc(C(OC(c2ccccc2)(c2ccccc2)c2ccc(CCCCCCC(Br)(Br)C(Br)(Br)Br)cc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.37
HDAC1 Q13547 1/20 0.36
SIGMAR1 Q99720 7/20 0.36
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35
PTPN11 Q06124 1/20 0.35
MAOA P21397 1/20 0.34
MAPT P10636 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR2A P28223 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
SCHEMBL8573617 0.82 PTPN2 (0.40) MAOBHDAC1SIGMAR1PTPN2PTPN1
SCHEMBL8566042 0.82 PTPN2 (0.36) MAOBHDAC1SIGMAR1PTPN2PTPN1
SCHEMBL417235 0.80 TDP1 (0.42) MAOBHDAC1SIGMAR1PTPN2PTPN1
SCHEMBL8569410 0.79 KIF11 (0.30)
SCHEMBL8714858 0.73 KIF11 (0.52)
SCHEMBL8718996 0.73
SCHEMBL9204337 0.69 TP53 (0.52)
SCHEMBL8973 0.69 KIF11 (0.48) PTPN1
SCHEMBL22206118 0.68 HTR2A (0.47) HTR2A
SCHEMBL11106023 0.67 KIF11 (0.48) SIGMAR1HTR2A

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 1 patent. 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