SCHEMBL8865864

SCHEMBL8865864

O=C(O)CCCc1ncc(Cl)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.43
FABP4 P15090 2/20 0.39
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
THRA P10827 3/20 0.37
THRB P10828 3/20 0.37
NR4A2 P43354 1/20 0.36
KMO O15229 1/20 0.36
HDAC3 O15379 1/20 0.36
MAPK1 P28482 1/20 0.36
ADRA1A P35348 1/20 0.36
HDAC4 P56524 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC1 Q13547 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL3939229 0.81 AGBL2 (0.43) PLAULMNAL3MBTL1MAPK8TBXAS1
SCHEMBL29009825 0.81 AGBL2 (0.46) LMNAHDAC3MAPK1ADRA1AHDAC4
SCHEMBL8866071 0.79 PLAU (0.40) PLAUSMN1; SMN2KDM4E
SCHEMBL22493741 0.72 PLAU (0.46) PLAULMNAL3MBTL1
SCHEMBL29009968 0.72 GPR17 (0.38) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL23705809 0.72 PLAU (0.43) PLAULMNAL3MBTL1THRATHRB
SCHEMBL30042575 0.72 PLAU (0.43) PLAULMNAL3MBTL1THRATHRB
SCHEMBL20188949 0.70 PLAU (0.43) PLAULMNASMN1; SMN2
SCHEMBL30481308 0.70 PLAU (0.43) PLAULMNASMN1; SMN2
SCHEMBL25224414 0.70 PLAU (0.43) PLAULMNASMN1; SMN2

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
US-5436344-A 3-bromo-5-chloro-pyridines used as intermediates in the synthesis of azatetralones PFIZER INC. (US) 1995-07-25 US claimed
US-5677458-A Method of preparing azatetralones PFIZER INC. (US) 1997-10-14 US disclosed
US-5608071-A Synthesis of 3-bromo-5-chloro-2-alkyl-pyridine derivatives PFIZER INC. (US) 1997-03-04 US disclosed
US-5436344-A 3-bromo-5-chloro-pyridines used as intermediates in the synthesis of azatetralones PFIZER INC. (US) 1995-07-25 US disclosed