SCHEMBL7256246

SCHEMBL7256246

Cn1c(CN(C(=O)C2CCCCC2)c2ccc(-c3ccc(C(=O)NCCN4CCCC4)o3)cc2)nc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
NPC1 O15118 1/20 0.39
ALOX15 P16050 1/20 0.39
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
FPR3 P25089 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
PDE10A Q9Y233 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GCGR P47871 1/20 0.37

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
SCHEMBL7259782 0.87 POLB (0.39) NPC1ALDH1A1MEN1CYP3A4KMT2A
SCHEMBL7256248 0.87 LMNA (0.40) LMNAMAPK1NPC1ALOX15ALDH1A1
SCHEMBL7255145 0.87 NR1H4 (0.41) LMNAALDH1A1KMT2AHPGDKDM4E
SCHEMBL7255070 0.86 ALDH1A1 (0.40) LMNANPC1ALDH1A1KMT2APKM
SCHEMBL7255149 0.80 NR1H4 (0.36) LMNANPC1ALDH1A1KMT2APKM
SCHEMBL7256009 0.78 NPC1 (0.38) LMNAMAPK1NPC1ALOX15ALDH1A1
SCHEMBL7259783 0.78 MAPKAPK2 (0.39) LMNASMN1; SMN2GCGR
SCHEMBL7259827 0.72 TSHR (0.44) NPC1ALDH1A1MEN1KMT2AHPGD
SCHEMBL7260764 0.71 ALDH1A1 (0.43) NPC1ALOX15ALDH1A1PKMHPGD
SCHEMBL7258615 0.70 TSHR (0.43) NPC1ALDH1A1MEN1KMT2APKM

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