SCHEMBL11250828

SCHEMBL11250828

FC(F)(F)c1[nH]c(-c2cccc(Cl)c2)nc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
MPI P34949 1/20 0.46
GFER P55789 1/20 0.46
PIN1 Q13526 1/20 0.46
PTGES O14684 1/20 0.45
HPGD P15428 3/20 0.45
IDO1 P14902 2/20 0.45
HTT P42858 2/20 0.45
MEN1 O00255 2/20 0.45
CYP3A4 P08684 2/20 0.45
KMT2A Q03164 2/20 0.45
HSD17B10 Q99714 2/20 0.45
NPC1 O15118 1/20 0.45
CYP1A2 P05177 1/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL11251103 0.83 ALDH1A1 (0.41) KDM4EALDH1A1GFERHPGDHTT
SCHEMBL11245732 0.77 GUSB (0.45) GAAKDM4EALDH1A1HPGDMEN1
SCHEMBL11256429 0.77 NPBWR1 (0.45) PTGESNPBWR1
SCHEMBL11252508 0.76 NPBWR1 (0.35) HTTHSD17B10NPBWR1
SCHEMBL11243176 0.75 TRPV1 (0.47) KDM4EPARP1MAPK13MAPK12MAPK11
SCHEMBL15661382 0.75 HPGD (0.71) GAAMGAMSIMGAM2KDM4E
SCHEMBL11248749 0.74 PSD (0.32) PTGESHTTHSD17B10
SCHEMBL11246854 0.73 PPARG (0.38) KDM4EALDH1A1PIN1HPGDHTT
SCHEMBL11262196 0.73 NPBWR1 (0.41) KDM4EGFERNPC1RAB9APARP1
SCHEMBL11258538 0.73 PTGES (0.50) PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4314844-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1982-02-09 US disclosed