SCHEMBL30883283

SCHEMBL30883283

Clc1ccc(OCCCCCCOc2ccc(Cl)cc2Br)c(Br)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.69
LMNA P02545 4/20 0.69
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
MAPT P10636 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
ALDH1A1 P00352 7/20 0.56
KDM4E B2RXH2 7/20 0.56
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
NPSR1 Q6W5P4 1/20 0.52
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
THRB P10828 1/20 0.51
S1PR4 O95977 1/20 0.50

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
SCHEMBL29204861 0.91 SMN1; SMN2 (0.61) SMN1; SMN2LMNAMEN1KMT2ANPC1
SCHEMBL22866816 0.86 SMN1; SMN2 (0.56) SMN1; SMN2LMNAMEN1KMT2ANPC1
SCHEMBL29559882 0.86 SMN1; SMN2 (0.56) SMN1; SMN2LMNAMEN1KMT2ANPC1
SCHEMBL6924992 0.85 SMN1; SMN2 (0.55) SMN1; SMN2LMNAMEN1KMT2ANPC1
SCHEMBL29684781 0.83 KDM4E (0.60) SMN1; SMN2LMNAMEN1KMT2ANPC1
SCHEMBL11565430 0.82 SMN1; SMN2 (0.51) SMN1; SMN2LMNAMEN1KMT2ANPC1
SCHEMBL5003896 0.80 KDM4E (0.64) SMN1; SMN2LMNAMEN1KMT2ANPC1
SCHEMBL929698 0.80 GAA (0.54) SMN1; SMN2LMNAMEN1KMT2ANPC1
SCHEMBL12469762 0.80 SMN1; SMN2 (0.50) SMN1; SMN2LMNAMEN1KMT2ANPC1
SCHEMBL25244529 0.79 SMN1; SMN2 (0.61) SMN1; SMN2LMNAMEN1KMT2ANPC1

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
CN-117964652-A Tetradentate phenol ether ligand-metal complex derived from naphthol, preparation method and olefin polymerization method 中国科学院大连化学物理研究所 2024-05-03 CN disclosed