SCHEMBL28091134

SCHEMBL28091134

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
CYP2A6 P11509 1/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL5914613 0.82 ALDH1A1 (0.43) CES2CES1CA1CA2HDAC3
SCHEMBL2627450 0.82 CES2 (0.39) CES2CES1CA1CA2HDAC3
SCHEMBL11683571 0.81 CES2 (0.42) CES2CES1CA1CA2HDAC3
Hydrochloric Acid SCHEMBL2121536 0.80 CES2 (0.38) CES2CES1CA1CA2HDAC3
SCHEMBL9836481 0.79 CES2 (0.41) CES2CES1CA1CA2HDAC3
SCHEMBL11872550 0.78 ESR1 (0.43) CA1CA2MAPTKDM4ENPC1
SCHEMBL11870667 0.78 CES2 (0.44) CES2CES1CA1CA2CYP2A6
SCHEMBL16026954 0.76 ALDH1A1 (0.44) CES2CES1MAPTKDM4ELMNA
SCHEMBL7051493 0.76 S100A4 (0.42) CES2CES1CA1CA2NPSR1
SCHEMBL11703049 0.76 ALDH1A1 (0.38) HDAC4HDAC2HDAC8HDAC6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106674919-A Preparation method of nanotube composite wire containing polyolefin ionomer 叶晓青 2017-05-17 CN claimed
CN-106674917-A Preparation method of nanotube composite wire containing PBC (Poly Butylene carbonate) 叶晓青 2017-05-17 CN claimed
CN-106674918-A Polyhydroxybutyrate-containing nano-tube composite wire preparation method 叶晓青 2017-05-17 CN claimed
CN-106674919-A Preparation method of nanotube composite wire containing polyolefin ionomer 叶晓青 2017-05-17 CN disclosed
CN-106674917-A Preparation method of nanotube composite wire containing PBC (Poly Butylene carbonate) 叶晓青 2017-05-17 CN disclosed
CN-106674918-A Polyhydroxybutyrate-containing nano-tube composite wire preparation method 叶晓青 2017-05-17 CN disclosed
CN-105884660-A Synthesis method of aliphatic chain monoureido or diureido functional monomer molecule 中国科学院新疆理化技术研究所 2016-08-24 CN disclosed
CN-105884659-A Synthetic method of styrene functional monomer molecules containing ureido functional groups 中国科学院新疆理化技术研究所 2016-08-24 CN disclosed