SCHEMBL7873337

SCHEMBL7873337

N[C@@H](Cc1ccc(Cl)cc1)C(=O)Nc1ccccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.61
S1PR1 P21453 1/20 0.61
S1PR3 Q99500 1/20 0.61
FFAR2 O15552 1/20 0.56
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
KDM4E B2RXH2 1/20 0.50
ROCK2 O75116 1/20 0.49
KCNMA1 Q12791 1/20 0.49
GPR142 Q7Z601 1/20 0.48
ANPEP P15144 1/20 0.48
MEN1 O00255 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 1/20 0.48
XIAP P98170 1/20 0.47
BIRC2 Q13490 1/20 0.47
POLB P06746 1/20 0.47
PKM P14618 2/20 0.46
GRIK1 P39086 1/20 0.46
MITF O75030 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 0.89 ANPEP (0.58) KMT2AS1PR1S1PR3NPC1RAB9A
SCHEMBL9590000 0.89 ANPEP (0.58) KMT2AS1PR1S1PR3NPC1RAB9A
SCHEMBL7879302 0.88 ANPEP (0.52) KMT2AS1PR1S1PR3NPC1RAB9A
SCHEMBL7879201 0.87 DHODH (0.49) KMT2AS1PR1S1PR3NPC1RAB9A
SCHEMBL7873432 0.81 TSHR (0.51) S1PR1S1PR3NPC1RAB9AANPEP
SCHEMBL7868057 0.78 ANPEP (0.64) NPC1RAB9AROCK2ANPEPSMN1; SMN2
SCHEMBL26741146 0.77 ALDH1A1 (0.60) S1PR1S1PR3FFAR2NPC1RAB9A
SCHEMBL26741187 0.77 ALDH1A1 (0.60) S1PR1S1PR3FFAR2NPC1RAB9A
SCHEMBL3988488 0.77 POLB (0.43) KMT2AS1PR1S1PR3NPC1RAB9A
SCHEMBL17664017 0.76 S1PR1 (1.00) KMT2AS1PR1S1PR3FFAR2NPC1

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