SCHEMBL3940987

SCHEMBL3940987

O=C(O)c1ccc(Br)c(Br)c1Br.O=C(O)c1ccc(Cl)c(Cl)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
ALDH1A1 P00352 3/20 0.39
TP53 P04637 1/20 0.39
CASP1 P29466 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
PTPRC P08575 1/20 0.35
PTPRG P23470 1/20 0.35
CYP1A2 P05177 1/20 0.34
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SORT1 Q99523 1/20 0.34
GRIK1 P39086 2/20 0.33
LMNA P02545 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
SCHEMBL29886586 0.83 TSHR (0.64) TSHRALDH1A1TP53CASP1SMN1; SMN2
SCHEMBL432644 0.83 TSHR (0.64) TSHRALDH1A1TP53CASP1SMN1; SMN2
SCHEMBL607237 0.83 CYP1A2 (0.48) TSHRALDH1A1CASP1SMN1; SMN2CYP1A2
SCHEMBL8997789 0.81 TSHR (0.52) TSHRALDH1A1TP53CASP1SMN1; SMN2
SCHEMBL11801593 0.81 TSHR (0.47) TSHRALDH1A1TP53CASP1SMN1; SMN2
SCHEMBL10606007 0.81 TSHR (0.61) TSHRALDH1A1TP53CASP1SMN1; SMN2
SCHEMBL8617010 0.81 TSHR (0.61) TSHRALDH1A1TP53CASP1SMN1; SMN2
SCHEMBL27938221 0.81 TSHR (0.61) TSHRALDH1A1TP53CASP1SMN1; SMN2
SCHEMBL29045172 0.81 CYP1A2 (0.46) TSHRALDH1A1CASP1SMN1; SMN2CYP1A2
SCHEMBL27553108 0.81 TSHR (0.61) TSHRALDH1A1TP53CASP1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1690685-B1 Planographic printing plate precursor FUJIFILM CORP (JP) 2009-04-15 EP disclosed
EP-1690685-A2 Planographic printing plate precursor FUJI PHOTO FILM CO., LTD. (JP) 2006-08-16 EP disclosed