SCHEMBL7876929

SCHEMBL7876929

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.63
FFAR2 O15552 1/20 0.58
ALDH1A1 P00352 2/20 0.56
LMNA P02545 1/20 0.56
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
PKM P14618 2/20 0.56
GAA P10253 1/20 0.53
S1PR1 P21453 1/20 0.52
S1PR3 Q99500 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
PIM1 P11309 1/20 0.49
ADORA2A P29274 1/20 0.49
ADORA2B P29275 1/20 0.49
ADORA1 P30542 1/20 0.49
FLT3 P36888 1/20 0.49
PIM3 Q86V86 1/20 0.49

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
SCHEMBL7877016 0.90 POLB (0.63) POLBFFAR2ALDH1A1LMNANPC1
SCHEMBL7876554 0.85 POLB (0.57) POLBFFAR2ALDH1A1LMNANPC1
SCHEMBL3890657 0.85 POLB (0.57) POLBFFAR2ALDH1A1LMNANPC1
SCHEMBL6799235 0.85 POLB (0.69) POLBFFAR2ALDH1A1LMNANPC1
SCHEMBL6793174 0.85 POLB (0.69) POLBFFAR2ALDH1A1LMNANPC1
SCHEMBL6795826 0.85 POLB (0.69) POLBFFAR2ALDH1A1LMNANPC1
SCHEMBL2666190 0.83 ALDH1A1 (0.71) POLBFFAR2ALDH1A1LMNANPC1
SCHEMBL1254966 0.83 POLB (0.57) POLBFFAR2ALDH1A1LMNANPC1
SCHEMBL7117272 0.83 POLB (0.57) POLBFFAR2ALDH1A1LMNANPC1
SCHEMBL13995141 0.80 POLB (0.58) POLBFFAR2ALDH1A1LMNANPC1

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