SCHEMBL435140

SCHEMBL435140

Fc1cc[c]c(-c2ccc(Cl)cc2Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.40
RAB9A P51151 3/20 0.40
TP53 P04637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD11B1 P28845 2/20 0.36
GCGR P47871 1/20 0.34
MAPK14 Q16539 1/20 0.34
ALDH1A1 P00352 3/20 0.33
DPP4 P27487 3/20 0.33
HSD17B10 Q99714 3/20 0.33
MAPT P10636 2/20 0.33
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
AQP1 P29972 1/20 0.33
HSP90AA1 P07900 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
SCHEMBL6927659 0.89 NISCH (0.40) RAB9ATP53KDM4ENPC1SMN1; SMN2
SCHEMBL17514748 0.86 NISCH (0.41) AHRRAB9ATP53KDM4ENPC1
SCHEMBL435603 0.86 KMO (0.35) HSD11B1
SCHEMBL435005 0.85 AHR (0.45) AHRRAB9ATP53KDM4ENPC1
SCHEMBL9138237 0.80 HSD11B1 (0.41) RAB9ATP53NPC1SMN1; SMN2HSD11B1
SCHEMBL9648679 0.79 L3MBTL1 (0.40) KDM4EMAPT
SCHEMBL8527936 0.79 HSD11B1 (0.43) AHRRAB9ATP53KDM4ENPC1
SCHEMBL436469 0.76 NOTUM (0.38) AHRRAB9ATP53NPC1SMN1; SMN2
SCHEMBL434555 0.75 CNR1 (0.34) RAB9ATP53KDM4ENPC1SMN1; SMN2
SCHEMBL9598658 0.75 AHR (0.37) AHRRAB9ATP53NPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595984-A1 MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
EP-2595985-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS 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
US-5156669-A Fungicides and plant growth regulators BASF AKTIENGESELLSCHAFT (DE) 1992-10-20 US disclosed
US-4530922-A Fungicidal imidazoles and triazoles containing silicon E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-07-23 US disclosed