SCHEMBL847200

SCHEMBL847200

CC(C(=O)c1ccc(Br)cc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.58
ALDH1A1 P00352 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TNNI3 P19429 1/20 0.47
TNNT2 P45379 1/20 0.47
TNNC1 P63316 1/20 0.47
HSP90AA1 P07900 2/20 0.46
NTSR1 P30989 1/20 0.46
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
S1PR3 Q99500 1/20 0.45
AKR1C3 P42330 1/20 0.44

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
SCHEMBL28956876 0.93 SMN1; SMN2 (0.58) LMNAALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL702447 0.86 TDP1 (0.61) LMNAALDH1A1SMN1; SMN2CYP3A4CYP2C19
SCHEMBL10894082 0.86 TDP1 (0.61) LMNAALDH1A1SMN1; SMN2CYP3A4CYP2C19
SCHEMBL13305506 0.84 ALOX15 (0.46) LMNAALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL16162334 0.83 CES2 (0.53) LMNAALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL28956932 0.83 PTGS2 (0.63) LMNAALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL17483863 0.83 PTGS2 (0.63) LMNAALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL9125050 0.83 LMNA (0.62) LMNAALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL681159 0.81 NPC1 (0.58) LMNAALDH1A1SMN1; SMN2CYP3A4CYP2C9
SCHEMBL4601940 0.81 CES2 (0.52) LMNAALDH1A1KMT2AMEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116102430-B Alkylation synthesis method for in-situ catalytic alcohols 中山大学 2025-03-14 CN disclosed
CN-115385765-B Synthesis method of alkylaryl ketone 南京工业大学 2023-11-10 CN disclosed
CN-115385765-A Synthesis method of alkyl aryl ketone 南京工业大学 2022-11-25 CN disclosed
EP-1603883-B1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-03-28 EP disclosed