SCHEMBL7874781

SCHEMBL7874781

N[C@@H](CCCCNC(=O)c1ccccn1)C(=O)Nc1nccs1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
NPC1 O15118 1/20 0.59
LMNA P02545 1/20 0.59
METAP2 P50579 1/20 0.59
RAB9A P51151 1/20 0.59
METAP1 P53582 1/20 0.59
ALDH1A1 P00352 1/20 0.48
ANPEP P15144 1/20 0.48
HDAC6 Q9UBN7 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47

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
SCHEMBL6056917 0.93 SMN1; SMN2 (0.63) SMN1; SMN2L3MBTL1NPC1LMNAMETAP2
SCHEMBL7868117 0.86 NPC1 (0.66) SMN1; SMN2L3MBTL1NPC1LMNAMETAP2
SCHEMBL18142931 0.80 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1HDAC6HDAC3HDAC4
SCHEMBL8076825 0.79 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1LMNAALDH1A1CYP1A2
SCHEMBL5699500 0.79 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1LMNAALDH1A1CYP1A2
SCHEMBL7382201 0.79 ANPEP (0.71) SMN1; SMN2L3MBTL1ANPEPHDAC6HSPA5
SCHEMBL8177448 0.79 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1HDAC6HDAC3HDAC4
SCHEMBL5057161 0.78 ANPEP (0.54) SMN1; SMN2L3MBTL1NPC1LMNARAB9A
SCHEMBL7874820 0.78 NPC1 (0.53) SMN1; SMN2L3MBTL1NPC1RAB9AALDH1A1
SCHEMBL7879190 0.77 PKM (0.54) SMN1; SMN2L3MBTL1LMNARAB9AALDH1A1

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