SCHEMBL3455035

SCHEMBL3455035

Cc1nc(-c2c(OCC3CCCO3)cc[nH]c2=O)sc1C(=O)NCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCD O00767 13/20 0.61
P2RX3 P56373 2/20 0.42
P2RX2 Q9UBL9 2/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL3455505 0.89 SCD (0.48) SCD
SCHEMBL3454095 0.89 SCD (0.50) SCD
SCHEMBL3455858 0.84 SCD (0.54) SCD
SCHEMBL3478653 0.84 SCD (0.59) SCD
SCHEMBL3454229 0.82 SCD (0.55) SCD
SCHEMBL3454257 0.81 SCD (0.50) SCD
SCHEMBL3455689 0.81 SCD (0.53) SCD
SCHEMBL3460815 0.80 AKR1C3 (0.58) SCDMEN1KMT2A
SCHEMBL3454894 0.80 SCD (0.49) SCD
SCHEMBL3454214 0.80 SCD (0.49) SCD

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
WO-2007143597-A9 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-11-11 WO claimed