SCHEMBL9640452

SCHEMBL9640452

CCCC(Br)(CC)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FDPS P14324 2/20 0.33
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
THRB P10828 1/20 0.30
KMT2A Q03164 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
SCHEMBL4992703 0.90 LMNA (0.40) LMNAHSD17B10FDPSALDH1A1
SCHEMBL318239 0.85
SCHEMBL1036503 0.78 MEN1 (0.35) LMNAHSD17B10FDPSMEN1ALDH1A1
SCHEMBL1732567 0.78 MEN1 (0.35) LMNAHSD17B10FDPSMEN1ALDH1A1
SCHEMBL1732836 0.78 MEN1 (0.35) LMNAHSD17B10FDPSMEN1ALDH1A1
SCHEMBL4998321 0.76 FDPS (0.40) FDPS
SCHEMBL17763386 0.74 FDPS (0.35) LMNAHSD17B10FDPSMEN1ALDH1A1
SCHEMBL27390583 0.73 FDPS (0.41) FDPS
SCHEMBL10412072 0.72 HDAC1 (0.36) LMNAHSD17B10FDPSMEN1ALDH1A1
SCHEMBL2371046 0.72

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-5108489-A HERBICIDAL DISUBSTITUTED NAPHTHALENES BAYER AKTIENGESELLSCHAFT (DE) 1992-04-28 US disclosed