SCHEMBL881095

SCHEMBL881095

CC(C)c1cccc(C(C)C)c1NC(=O)N(Cc1c[nH]c2ccccc12)c1ccc(N)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NMBR P28336 18/20 0.52
GRPR P30550 1/20 0.49
KDM4E B2RXH2 1/20 0.41
APAF1 O14727 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL856322 0.85 NMBR (0.47) NMBRGRPR
SCHEMBL9680304 0.74 MAPT (0.58) NMBRGRPRKDM4EAPAF1POLB
SCHEMBL13328416 0.72 MEN1 (0.65) NMBRMAPT
SCHEMBL856560 0.72 SMN1; SMN2 (0.46)
SCHEMBL855625 0.71 SOAT2 (0.52)
SCHEMBL6181687 0.71 NMBR (0.80) NMBRGRPRMAPT
SCHEMBL881081 0.70 SOAT2 (0.55)
SCHEMBL10189418 0.70 SOAT2 (0.48)
SCHEMBL855709 0.69 SOAT2 (0.50)
SCHEMBL855694 0.69 S1PR4 (0.43) POLB

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
EP-1308438-B9 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-28 EP disclosed