SCHEMBL7255149

SCHEMBL7255149

Cn1c(CN(C(=O)C2CCCCC2)c2ccc(-c3ccc(C(=O)O)o3)cc2)nc2ccccc21.NCc1ccncc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.36
MAPKAPK2 P49137 2/20 0.36
GCGR P47871 1/20 0.35
PDE7B Q9NP56 1/20 0.35
ALDH1A1 P00352 3/20 0.35
CNR2 P34972 2/20 0.35
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.35
NPC1 O15118 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR1 P21554 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
FASN P49327 1/20 0.34

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) NR1H4GCGRPDE7BALDH1A1CNR2
SCHEMBL7256248 0.88 LMNA (0.40) NR1H4GCGRALDH1A1KDM4ESMN1; SMN2
SCHEMBL7259783 0.87 MAPKAPK2 (0.39) NR1H4MAPKAPK2GCGRSMN1; SMN2LMNA
SCHEMBL7255145 0.87 NR1H4 (0.41) NR1H4MAPKAPK2GCGRALDH1A1KDM4E
SCHEMBL7256009 0.80 NPC1 (0.38) NR1H4ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL7256246 0.80 LMNA (0.40) GCGRALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL7259782 0.79 POLB (0.39) MAPKAPK2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL7260764 0.78 ALDH1A1 (0.43) MAPKAPK2ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL7255167 0.76 LTB4R2 (0.44) ALDH1A1KDM4ESMN1; SMN2NPC1GLA
SCHEMBL7259830 0.72 MAPKAPK2 (0.38) MAPKAPK2ALDH1A1KDM4ESMN1; SMN2NPC1

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