SCHEMBL2033398

SCHEMBL2033398

O=C(OC1=CCN2CC=Cc3cccc1c32)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.39
KMT2A Q03164 8/20 0.34
MAPT P10636 4/20 0.34
S100A4 P26447 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
PLA2G1B P04054 1/20 0.33
HPGD P15428 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
STAT3 P40763 1/20 0.33
JAK2 O60674 1/20 0.33
USP2 O75604 1/20 0.33
ESR1 P03372 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL28547192 0.68
SCHEMBL27447443 0.66 KMT2A (0.43) TOP1KMT2AMAPTS100A4SMN1; SMN2
SCHEMBL6228672 0.65
SCHEMBL27532472 0.64 MAPT (0.46) TOP1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL5475783 0.60 TOP1 (0.50) TOP1KMT2AMAPTS100A4SMN1; SMN2
SCHEMBL6089366 0.60 PARP1 (0.35)
SCHEMBL31517375 0.59 KMT2A (0.68) TOP1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL31141901 0.59
SCHEMBL11694814 0.58 KMT2A (0.55) TOP1KMT2AMAPTS100A4SMN1; SMN2
SCHEMBL5551848 0.58 LMNA (0.64) KMT2AMAPTPOLBSMN1; SMN2ALDH1A1

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
WO-2011066864-A1 METHOD AND COMPOSITIONS FOR INHIBITION OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2011-06-09 WO claimed
WO-2011066864-A1 METHOD AND COMPOSITIONS FOR INHIBITION OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2011-06-09 WO disclosed