SCHEMBL4606815

SCHEMBL4606815

FC(F)(F)c1cccc(-c2cc(Cl)[c]cc2Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORB Q92753 4/20 0.43
RORC P51449 3/20 0.43
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.37
HPGD P15428 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
TSHR P16473 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
THRB P10828 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37
STAT6 P42226 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL4606814 0.77 RORB (0.43) RORBRORCMAPTMEN1HPGD
SCHEMBL695494 0.76 MAOB (0.43) RORBRORCMAPTMEN1HPGD
SCHEMBL457115 0.75 MAOB (0.45) RORBRORCMAPTMEN1HPGD
SCHEMBL27926095 0.73 ALDH1A1 (0.52) RORBRORCMAPTMEN1HPGD
SCHEMBL8307164 0.72 RORB (0.44) RORBRORCMAPTMEN1HPGD
SCHEMBL4607153 0.71 RORC (0.33) RORBRORCMEN1HPGDKMT2A
SCHEMBL10623257 0.71 RORB (0.49) RORBRORCMAPTMEN1HPGD
SCHEMBL695054 0.70 RORB (0.48) RORBRORCMAPTMEN1HPGD
SCHEMBL17840165 0.69 RORC (0.57) RORBRORCMAPTHPGDTSHR
SCHEMBL1262766 0.69 RORB (0.66) RORBRORCMAPTMEN1HPGD

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-1948649-A2 FUNGICIDAL CARBOXAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-30 EP disclosed
WO-2007014290-A2 FUNGICIDAL CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-02-01 WO disclosed