SCHEMBL8022091

SCHEMBL8022091

CC(Oc1ccc(-c2ccc(NC(N)=O)cc2)cc1)[C@H](O)CCc1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.46
GLA P06280 1/20 0.45
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTAFR P25105 2/20 0.42
LMNA P02545 2/20 0.41
CHRNA7 P36544 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KIF11 P52732 1/20 0.40
KMT2A Q03164 2/20 0.39
RECQL P46063 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL7976682 1.00 NAMPT (0.46) NAMPTGLAPOLBHPGDHTT
SCHEMBL7976678 1.00 NAMPT (0.46) NAMPTGLAPOLBHPGDHTT
SCHEMBL7980167 0.92 PTAFR (0.46) NAMPTPOLBHPGDHTTSMN1; SMN2
SCHEMBL7980165 0.92 PTAFR (0.46) NAMPTPOLBHPGDHTTSMN1; SMN2
SCHEMBL7979927 0.89 NAMPT (0.49) NAMPTPOLBHPGDHTTSMN1; SMN2
SCHEMBL7978580 0.89 NAMPT (0.49) NAMPTPOLBHPGDHTTSMN1; SMN2
SCHEMBL7976863 0.84 PTAFR (0.42) POLBHPGDHTTSMN1; SMN2PTAFR
SCHEMBL7980129 0.84 PTAFR (0.42) POLBHPGDHTTSMN1; SMN2PTAFR
SCHEMBL7976881 0.84 PTAFR (0.42) POLBHPGDHTTSMN1; SMN2PTAFR
SCHEMBL7966197 0.84 PTAFR (0.42) POLBHPGDHTTSMN1; SMN2PTAFR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0971892-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Astra Pharmaceuticals Limited (GB) 2000-01-19 EP claimed
WO-1998042670-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRA PHARMACEUTICALS LTD. (GB) 1998-10-01 WO claimed