SCHEMBL9719602

SCHEMBL9719602

O=C(CCC(Cl)Br)c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.55
KMT2A Q03164 5/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ERCC5 P28715 1/20 0.46
FEN1 P39748 1/20 0.46
HSD11B1 P28845 1/20 0.45
MAPT P10636 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
MMP1 P03956 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
TP53 P04637 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL1502428 0.83 TDP1 (0.53) GSK3BKMT2ANPC1RAB9AMEN1
SCHEMBL16552727 0.80 GSK3B (0.70) GSK3BKMT2ANPC1RAB9AMEN1
SCHEMBL7426211 0.79 TRPA1 (0.54) GSK3BKMT2ANPC1RAB9AMEN1
SCHEMBL6276851 0.76 GSK3B (0.69) GSK3BKMT2ANPC1RAB9AMEN1
SCHEMBL11251928 0.75 GSK3B (0.48) GSK3BKMT2ANPC1RAB9AMEN1
SCHEMBL9172112 0.75 GSK3B (0.48) GSK3BKMT2ANPC1RAB9AMEN1
SCHEMBL6820156 0.75 GSK3B (0.57) GSK3BKMT2ANPC1RAB9AMEN1
SCHEMBL8750790 0.74 L3MBTL1 (0.65) GSK3BKMT2ANPC1RAB9AMEN1
SCHEMBL653535 0.74 GSK3B (0.68) GSK3BKMT2ANPC1RAB9AMEN1
SCHEMBL9712507 0.74 GSK3B (0.68) GSK3BKMT2ANPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5089640-A Fungicides, plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1992-02-18 US disclosed
US-4988382-A HERBICIDES, PLANT GROWTH REGULATORS, IMIDAZOLE DERIVATIVES, FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1991-01-29 US disclosed
US-4921528-A PLANT GROWTH REGULATORS, FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1990-05-01 US disclosed