SCHEMBL435211

SCHEMBL435211

Fc1[c]ccc(-c2ccc(Cl)cc2Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.48
TP53 P04637 3/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
SRD5A2 P31213 1/20 0.38
HSD11B1 P28845 4/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
GCGR P47871 1/20 0.34
MAPK14 Q16539 1/20 0.34
SHMT1 P34896 1/20 0.33
SHMT2 P34897 1/20 0.33
MARS1 P56192 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
SCHEMBL433433 0.86 GRM2 (0.36) AHRHSD11B1
SCHEMBL17514779 0.86 NISCH (0.38) AHRTP53RAB9ANPC1SMN1; SMN2
SCHEMBL432623 0.81 AHR (0.52) AHRTP53RAB9ANPC1SMN1; SMN2
SCHEMBL15637453 0.80 CYP2A6 (0.47) TP53RAB9ANPC1SMN1; SMN2HSD11B1
SCHEMBL5182079 0.79 AHR (0.40) AHRTP53ALDH1A1TSHRHSD17B10
SCHEMBL15637337 0.79 AHR (0.59) AHRTP53RAB9ANPC1SMN1; SMN2
SCHEMBL15636311 0.79 AHR (0.48) AHRTP53RAB9ANPC1SMN1; SMN2
SCHEMBL15637460 0.78 AHR (0.44) AHRTP53RAB9ANPC1SMN1; SMN2
SCHEMBL433164 0.77 ALOX5 (0.42) AHRTP53RAB9ANPC1SMN1; SMN2
SCHEMBL434492 0.75 AHR (0.57) AHRTP53RAB9ANPC1SMN1; 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 4 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