SCHEMBL433493

SCHEMBL433493

Fc1cc[c]c(-c2ccc(F)cc2F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
IDO1 P14902 2/20 0.34
AGXT P21549 2/20 0.34
GPR3 P46089 1/20 0.34
TTR P02766 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
DHFR P00374 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
LMNA P02545 1/20 0.34
ALB P02768 1/20 0.34
HMGB1 P09429 1/20 0.34
HPGD P15428 1/20 0.34
CXCL12 P48061 1/20 0.34
KMT2A Q03164 1/20 0.34
HIF1A Q16665 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
ACMSD Q8TDX5 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
SCHEMBL2051071 0.85 ALDH1A1 (0.39) ALDH1A1IDO1AGXTGPR3TTR
SCHEMBL435603 0.85 KMO (0.35) GPR3KMOPTGS2
SCHEMBL434555 0.85 CNR1 (0.34) ALDH1A1IDO1AGXTGPR3TTR
SCHEMBL925238 0.85 PIK3R1 (0.34) ALDH1A1IDO1AGXTGPR3TTR
SCHEMBL10613996 0.82 AMY1A (0.43) ALDH1A1KDM4E
SCHEMBL2053354 0.82 MPL (0.35) ALDH1A1IDO1GPR3
SCHEMBL434431 0.82 L3MBTL1 (0.38) ALDH1A1IDO1GPR3KDM4EHPGD
SCHEMBL6927659 0.80 NISCH (0.40) KDM4EPDE3BPDE3APTGS2
SCHEMBL9650055 0.80 PTGS2 (0.37) PDE3BPDE3APTGS2
SCHEMBL435274 0.80 GPR3 (0.40) ALDH1A1IDO1AGXTGPR3TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595985-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
EP-2595984-A1 MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
WO-2012010568-A1 MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed
WO-2012010567-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed
EP-1797083-A1 SULFONAMIDE COMPOUNDS Janssen Pharmaceutica, N.V. (BE) 2007-06-20 EP disclosed
WO-2006036670-A1 SULFONAMIDE COMPOUNDS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-04-06 WO disclosed
EP-0509795-A2 Carbamates of rapamycin AMERICAN HOME PRODUCTS CORPORATION (US) 1992-10-21 EP disclosed