SCHEMBL7429617

SCHEMBL7429617

O=C(CCCOc1ncnc2ccccc12)On1nnc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 4/20 0.49
RAB9A P51151 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPC1 O15118 2/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
POLB P06746 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
HDAC3 O15379 3/20 0.43
HDAC4 P56524 3/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC7 Q8WUI4 3/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC10 Q969S8 3/20 0.43
HDAC11 Q96DB2 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43

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
SCHEMBL11752297 0.82 SIRT2 (0.56) SIRT2RAB9ANPC1TSHRCYP1A2
SCHEMBL4952678 0.82 SIRT2 (0.56) SIRT2RAB9ANPC1TSHRCYP1A2
SCHEMBL14125304 0.81 SIRT2 (0.50) SIRT2RAB9ANPC1TSHRSMN1; SMN2
SCHEMBL2216539 0.81 SIRT2 (0.55) SIRT2RAB9ANPC1TSHRCYP1A2
SCHEMBL17662411 0.77 HDAC3 (0.51) SIRT2RAB9ANPC1TSHRSMN1; SMN2
SCHEMBL3978075 0.77 TSHR (0.45) SIRT2RAB9AL3MBTL1NPC1TSHR
SCHEMBL15701333 0.77 HDAC3 (0.56) SIRT2RAB9ANPC1TSHRSMN1; SMN2
SCHEMBL6552751 0.76 HPSE (0.57) SIRT2RAB9ANPC1SMN1; SMN2HDAC3
SCHEMBL15159809 0.75 SIRT2 (0.44) SIRT2RAB9ANPC1TSHRSMN1; SMN2
SCHEMBL3148356 0.75 HPSE (0.59) SIRT2RAB9ANPC1SMN1; SMN2HDAC3

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
WO-1999048911-A1 MONOBACTAM ENZYME INHIBITORS NAEJA PHARMACEUTICAL INC. (GB) 1999-09-30 WO disclosed