SCHEMBL7877016

SCHEMBL7877016

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

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.63
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
FFAR2 O15552 1/20 0.55
GAA P10253 1/20 0.53
S1PR1 P21453 1/20 0.52
S1PR3 Q99500 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 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
SCHEMBL7876929 0.90 POLB (0.63) POLBALDH1A1LMNANPC1RAB9A
SCHEMBL6799235 0.88 POLB (0.69) POLBALDH1A1LMNANPC1RAB9A
SCHEMBL6795826 0.88 POLB (0.69) POLBALDH1A1LMNANPC1RAB9A
SCHEMBL6793174 0.88 POLB (0.69) POLBALDH1A1LMNANPC1RAB9A
SCHEMBL7876554 0.85 POLB (0.57) POLBALDH1A1LMNANPC1RAB9A
SCHEMBL3890657 0.85 POLB (0.57) POLBALDH1A1LMNANPC1RAB9A
SCHEMBL2666190 0.83 ALDH1A1 (0.71) POLBALDH1A1LMNANPC1RAB9A
SCHEMBL13995141 0.80 POLB (0.58) POLBALDH1A1LMNANPC1RAB9A
SCHEMBL1254966 0.79 POLB (0.57) POLBALDH1A1LMNANPC1RAB9A
SCHEMBL7117272 0.79 POLB (0.57) POLBALDH1A1LMNANPC1RAB9A

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