SCHEMBL7255145

SCHEMBL7255145

Cn1c(CN(C(=O)C2CCCCC2)c2ccc(-c3ccc(C(=O)NCc4ccncc4)o3)cc2)nc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 0.41
LMNA P02545 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MMP13 P45452 2/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.38
GCGR P47871 1/20 0.37
TP53 P04637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MAPKAPK2 P49137 1/20 0.36
DGAT2 Q96PD7 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL7256246 0.87 LMNA (0.40) LMNAKDM4EALDH1A1KMT2AHPGD
SCHEMBL7255149 0.87 NR1H4 (0.36) NR1H4LMNAKDM4EALDH1A1KMT2A
SCHEMBL7255070 0.86 ALDH1A1 (0.40) NR1H4LMNAKDM4EALDH1A1KMT2A
SCHEMBL7259782 0.86 POLB (0.39) ALDH1A1KMT2AMAPKAPK2
SCHEMBL7256248 0.80 LMNA (0.40) NR1H4LMNAKDM4EALDH1A1KMT2A
SCHEMBL7259783 0.79 MAPKAPK2 (0.39) NR1H4LMNAGCGRMAPKAPK2
SCHEMBL7256009 0.78 NPC1 (0.38) NR1H4LMNAKDM4EALDH1A1KMT2A
SCHEMBL7260764 0.71 ALDH1A1 (0.43) KDM4EALDH1A1HPGDTP53MAPKAPK2
SCHEMBL7259827 0.71 TSHR (0.44) KDM4EALDH1A1KMT2AHPGDMAPKAPK2
SCHEMBL7258615 0.70 TSHR (0.43) KDM4EALDH1A1KMT2AHPGDTP53

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