SCHEMBL7876499

SCHEMBL7876499

CS(=O)(=O)CC[C@H](N)C(=O)Nc1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.52
POLB P06746 2/20 0.51
GAA P10253 1/20 0.49
ALDH1A1 P00352 3/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
PKM P14618 1/20 0.47
LMNA P02545 1/20 0.46
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46
FFAR2 O15552 1/20 0.45
GRM5 P41594 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL7418597 0.85 POLB (0.55) ANPEPPOLBGAAALDH1A1NPC1
SCHEMBL26741187 0.81 ALDH1A1 (0.60) ANPEPPOLBGAAALDH1A1NPC1
SCHEMBL26741146 0.81 ALDH1A1 (0.60) ANPEPPOLBGAAALDH1A1NPC1
SCHEMBL27255049 0.81 ANPEP (0.50) ANPEPPOLBGAAALDH1A1NPC1
SCHEMBL7873450 0.80 ANPEP (0.61) ANPEPPOLBGAAALDH1A1NPC1
SCHEMBL7879189 0.79 POLB (0.52) ANPEPPOLBGAAALDH1A1NPC1
SCHEMBL13995141 0.79 POLB (0.58) ANPEPPOLBGAAALDH1A1NPC1
SCHEMBL7873398 0.76 ANPEP (0.64) ANPEPPOLBGAAALDH1A1NPC1
SCHEMBL9602121 0.76 ANPEP (0.58) ANPEPPOLBGAAALDH1A1NPC1
SCHEMBL9590000 0.76 ANPEP (0.58) ANPEPPOLBGAAALDH1A1NPC1

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