SCHEMBL3680893

SCHEMBL3680893

O=CC(Br)C1=NOC(c2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
PTPN1 P18031 5/20 0.36
PPARG P37231 2/20 0.34
PPARA Q07869 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
AR P10275 1/20 0.33
CYP19A1 P11511 1/20 0.33
MAOB P27338 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RET P07949 1/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
FAAH O00519 2/20 0.31
TEAD1 P28347 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL4726112 1.00 TSHR (0.43) TSHRPTPN1PPARGPPARAKDM4E
SCHEMBL1979984 0.82 TSHR (0.43) TSHRPTPN1PPARGPPARAKDM4E
SCHEMBL695938 0.78 POLB (0.30)
SCHEMBL21065809 0.76 TSHR (0.53) TSHRPTPN1PPARGPPARAKDM4E
SCHEMBL1169872 0.70 TSHR (0.53) TSHRPTPN1PPARGPPARAKDM4E
SCHEMBL12896348 0.70 TSHR (0.53) TSHRPTPN1PPARGPPARAKDM4E
SCHEMBL10278584 0.70 TSHR (0.53) TSHRPTPN1PPARGPPARAKDM4E
SCHEMBL12896347 0.70 TSHR (0.53) TSHRPTPN1PPARGPPARAKDM4E
SCHEMBL3665376 0.67 TEAD1 (0.32) TSHRPPARGPPARATEAD1
SCHEMBL12305007 0.66 TSHR (0.57) TSHRPTPN1PPARGPPARAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2187748-A2 FUNGICIDAL COMPOUNDS AND MIXTURES E. I. du Pont de Nemours and Company (US) 2010-05-26 EP disclosed
WO-2009055514-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-04-30 WO disclosed