SCHEMBL5717754

SCHEMBL5717754

O=C(O)CCCc1nc(-c2ccc(Cl)cc2)no1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.84
ALDH1A1 P00352 2/20 0.77
LMNA P02545 3/20 0.73
NPC1 O15118 1/20 0.73
RAB9A P51151 1/20 0.73
SIRT2 Q8IXJ6 3/20 0.70
HDAC2 Q92769 2/20 0.67
HDAC1 Q13547 1/20 0.67
HDAC8 Q9BY41 1/20 0.66
TP53 P04637 1/20 0.65
MAPT P10636 1/20 0.65
HTT P42858 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
FFAR1 O14842 1/20 0.62
TDP1 Q9NUW8 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
POLB P06746 1/20 0.60
NOTUM Q6P988 1/20 0.60

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
SCHEMBL5717662 0.92 TSHR (1.00) TSHRALDH1A1LMNANPC1RAB9A
SCHEMBL5717832 0.89 LMNA (0.73) TSHRALDH1A1LMNANPC1RAB9A
SCHEMBL562989 0.87 ALDH1A1 (1.00) TSHRALDH1A1LMNANPC1RAB9A
SCHEMBL24326607 0.86 ALDH1A1 (0.77) TSHRALDH1A1LMNANPC1RAB9A
SCHEMBL27608362 0.85 ALDH1A1 (0.75) TSHRALDH1A1LMNANPC1RAB9A
SCHEMBL5717742 0.84 ALDH1A1 (0.79) TSHRALDH1A1LMNANPC1RAB9A
SCHEMBL5717732 0.82 TSHR (0.77) TSHRALDH1A1LMNANPC1RAB9A
SCHEMBL20029259 0.81 SIRT2 (0.91) TSHRALDH1A1LMNANPC1RAB9A
SCHEMBL28869626 0.81 SIRT2 (0.75) TSHRALDH1A1LMNANPC1RAB9A
SCHEMBL27429874 0.80 TSHR (0.69) TSHRALDH1A1LMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
CN-1492874-A Macrolide antibiotics 2004-04-28 CN disclosed