SCHEMBL7256248

SCHEMBL7256248

Cn1c(CN(C(=O)C2CCCCC2)c2ccc(-c3ccc(C(=O)O)o3)cc2)nc2ccccc21.NCCN1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 2/20 0.38
CYP3A4 P08684 2/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
PKM P14618 1/20 0.37
NPSR1 Q6W5P4 4/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DRD2 P14416 1/20 0.35

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 0.93 ALDH1A1 (0.40) LMNAKDM4EALDH1A1TDP1NPC1
SCHEMBL7255149 0.88 NR1H4 (0.36) LMNAKDM4EALDH1A1TDP1NPC1
SCHEMBL7259783 0.87 MAPKAPK2 (0.39) LMNASMN1; SMN2NR1H4GCGR
SCHEMBL7256246 0.87 LMNA (0.40) LMNAMAPK1KDM4EALDH1A1TDP1
SCHEMBL7256009 0.82 NPC1 (0.38) LMNAMAPK1KDM4EALDH1A1NPC1
SCHEMBL7255145 0.80 NR1H4 (0.41) LMNAKDM4EALDH1A1HPGDKMT2A
SCHEMBL7260764 0.78 ALDH1A1 (0.43) KDM4EALDH1A1NPC1HPGDPKM
SCHEMBL7259782 0.78 POLB (0.39) ALDH1A1TDP1NPC1CYP3A4MEN1
SCHEMBL7255167 0.76 LTB4R2 (0.44) KDM4EALDH1A1NPC1HPGDPKM
SCHEMBL7259830 0.72 MAPKAPK2 (0.38) KDM4EALDH1A1NPC1HPGDPKM

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