SCHEMBL7259783

SCHEMBL7259783

Cn1c(CN(C(=O)C2CCCCC2)c2ccc(-c3ccc(C(=O)O)o3)cc2)nc2ccccc21.NCCc1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 6/20 0.39
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GPR88 Q9GZN0 1/20 0.34
NR1H4 Q96RI1 3/20 0.34
GCGR P47871 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
SCHEMBL7255070 0.90 ALDH1A1 (0.40) LMNASMN1; SMN2NR1H4GCGR
SCHEMBL7259782 0.88 POLB (0.39) MAPKAPK2
SCHEMBL7255149 0.87 NR1H4 (0.36) MAPKAPK2LMNASMN1; SMN2NR1H4GCGR
SCHEMBL7256248 0.87 LMNA (0.40) LMNASMN1; SMN2NR1H4GCGR
SCHEMBL7259830 0.86 MAPKAPK2 (0.38) MAPKAPK2SMN1; SMN2GPR88
SCHEMBL7255145 0.79 NR1H4 (0.41) MAPKAPK2LMNANR1H4GCGR
SCHEMBL7256009 0.78 NPC1 (0.38) LMNASMN1; SMN2NR1H4
SCHEMBL7256246 0.78 LMNA (0.40) LMNASMN1; SMN2GCGR
SCHEMBL7260764 0.76 ALDH1A1 (0.43) MAPKAPK2SMN1; SMN2
SCHEMBL7255167 0.74 LTB4R2 (0.44) SMN1; SMN2

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-2003099812-A1 PHENYL-FURAN OR PHENYL-THIOPHENE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICINE PIERRE FABRE MEDICAMENT (FR) 2003-12-04 WO claimed