SCHEMBL3637557

SCHEMBL3637557

CC1(C)CC(=O)N(Nc2ccc(C(F)(F)F)c(-c3ccccc3)n2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 10/20 0.39
AR P10275 1/20 0.37
NTRK1 P04629 7/20 0.33
TRPV1 Q8NER1 2/20 0.31

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
SCHEMBL1592486 0.79 XPO1 (0.48) XPO1NTRK1
SCHEMBL30346302 0.78 XPO1 (0.63) XPO1NTRK1TRPV1
SCHEMBL1592487 0.78 XPO1 (0.43) XPO1NTRK1TRPV1
SCHEMBL1593000 0.69 XPO1 (0.48) XPO1TRPV1
SCHEMBL1593002 0.68 XPO1 (0.44) XPO1TRPV1
SCHEMBL1592522 0.67 XPO1 (0.47) XPO1
SCHEMBL24465012 0.67 XPO1 (0.40) XPO1NTRK1
SCHEMBL1592800 0.67 XPO1 (0.48) XPO1
SCHEMBL20880320 0.64 XPO1 (0.46) XPO1
SCHEMBL8406375 0.63 XPO1 (0.60) XPO1

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-2152692-A2 COMPOUNDS WITH ANTI-CANCER ACTIVITY Canbas Co. Ltd. (JP) 2010-02-17 EP claimed
WO-2009031040-A2 COMPOUNDS WITH ANTI-CANCER ACTIVITY CANBAS CO., LTD. (JP) 2009-03-12 WO claimed