SCHEMBL7259782

SCHEMBL7259782

Cn1c(CN(C(=O)C2CCCCC2)c2ccc(-c3ccc(C(=O)NCCc4ccccn4)o3)cc2)nc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL7259783 0.88 MAPKAPK2 (0.39) MAPKAPK2
SCHEMBL7256246 0.87 LMNA (0.40) POLBALDH1A1CYP3A4TDP1MEN1
SCHEMBL7259827 0.86 TSHR (0.44) MAPKAPK2ALDH1A1TDP1MEN1NPC1
SCHEMBL7255145 0.86 NR1H4 (0.41) MAPKAPK2ALDH1A1KMT2A
SCHEMBL7255070 0.84 ALDH1A1 (0.40) ALDH1A1TDP1NPC1RAB9AKMT2A
SCHEMBL7255149 0.79 NR1H4 (0.36) MAPKAPK2ALDH1A1TDP1NPC1RAB9A
SCHEMBL7256248 0.78 LMNA (0.40) ALDH1A1CYP1A2CYP3A4CYP2C9NPSR1
SCHEMBL7256009 0.74 NPC1 (0.38) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL7259830 0.73 MAPKAPK2 (0.38) MAPKAPK2ALDH1A1NPC1RAB9A
SCHEMBL7260764 0.69 ALDH1A1 (0.43) MAPKAPK2ALDH1A1NPC1RAB9A

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