SCHEMBL6914946

SCHEMBL6914946

O=C(O)c1ccc2c(Br)cccc2c1.[GaH3]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.64
SLC9A1 P19634 1/20 0.60
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
RXFP1 Q9HBX9 2/20 0.52
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA6 P23280 1/20 0.46
CA9 Q16790 1/20 0.46
PLA2G2D Q9UNK4 1/20 0.43
GRIN2D O15399 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2C Q14957 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 2/20 0.40
PRNP P04156 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL6914944 1.00 PTPN1 (0.64) PTPN1SLC9A1MEN1KMT2ARXFP1
SCHEMBL3106132 0.98 PTPN1 (0.66) PTPN1SLC9A1MEN1KMT2ARXFP1
SCHEMBL6916983 0.96 PTPN1 (0.64) PTPN1SLC9A1MEN1KMT2ARXFP1
SCHEMBL6916995 0.96 PTPN1 (0.64) PTPN1SLC9A1MEN1KMT2ARXFP1
SCHEMBL6914150 0.96 PTPN1 (0.64) PTPN1SLC9A1MEN1KMT2ARXFP1
SCHEMBL6913165 0.96 PTPN1 (0.64) PTPN1SLC9A1MEN1KMT2ARXFP1
SCHEMBL6917276 0.96 PTPN1 (0.64) PTPN1SLC9A1MEN1KMT2ARXFP1
SCHEMBL6917825 0.96 PTPN1 (0.64) PTPN1SLC9A1MEN1KMT2ARXFP1
SCHEMBL6913161 0.96 PTPN1 (0.64) PTPN1SLC9A1MEN1KMT2ARXFP1
SCHEMBL6917820 0.96 PTPN1 (0.64) PTPN1SLC9A1MEN1KMT2ARXFP1

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
US-6830704-B2 Contains a Lewis acid metal salt and a compound having clathrating ability. TOAGOSEI CO., LTD. (JP) 2004-12-14 US disclosed
US-20030135016-A1 Contains a Lewis acid metal salt and a compound having clathrating ability. TOAGOSEI CO., LTD. 2003-07-17 US disclosed
US-6547985-B1 Adhesive mixture TOGOSEI CO., LTD. (JP) 2003-04-15 US disclosed