SCHEMBL7868057

SCHEMBL7868057

NC(Cc1ccc(NC(=O)OCc2ccccc2)cc1)C(=O)Nc1ccccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.64
POLB P06746 1/20 0.53
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
LTA4H P09960 5/20 0.48
KDM1A O60341 2/20 0.47
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
CIT O14578 1/20 0.46
BACE1 P56817 2/20 0.46
HDAC8 Q9BY41 1/20 0.46
ROCK2 O75116 1/20 0.46
RCOR1 Q9UKL0 1/20 0.46
SGMS2 Q8NHU3 1/20 0.45
F2 P00734 1/20 0.45
PRSS1 P07477 1/20 0.45

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
SCHEMBL9602121 0.85 ANPEP (0.58) ANPEPPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL9590000 0.85 ANPEP (0.58) ANPEPPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL6051665 0.81 SLC7A5 (0.59) POLBTP53MAPTNPC1RAB9A
SCHEMBL6051669 0.81 SLC7A5 (0.59) POLBTP53MAPTNPC1RAB9A
SCHEMBL7879302 0.81 ANPEP (0.52) ANPEPPOLBNPC1RAB9ACIT
SCHEMBL29777588 0.80 POLB (0.61) ANPEPPOLBNPC1RAB9ASMN1; SMN2
Acetic Acid SCHEMBL28042956 0.79 POLB (0.57) ANPEPPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL16856646 0.79 PLAU (0.55) LMNALTA4HKDM1AMAOAMAOB
SCHEMBL16856328 0.79 PLAU (0.55) LMNALTA4HKDM1AMAOAMAOB
SCHEMBL7873337 0.78 KMT2A (0.61) ANPEPPOLBTP53NPC1RAB9A

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
US-6329400-B1 INHIBITION OR ANTAGONISM OF MATRIX METALLOPROTEASES, AND/OR TUMOR NECROSIS FACTOR-ALPHA; EXTRACELLULAR MATRIX DEGRADATION, INHIBITION OF SHEDDING OF CELL SURFACE PROTEIN ECTODOMAINS AND CD23 PROTEOLYSIS GLAXO WELLCOME INC. 2001-12-11 US disclosed