SCHEMBL7260764

SCHEMBL7260764

Cn1c(CN(C(=O)c2ccccc2)c2ccc(-c3ccc(C(=O)O)o3)cc2)nc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
HDAC6 Q9UBN7 2/20 0.42
PTGES O14684 3/20 0.41
ALOX5 P09917 3/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
USP2 O75604 1/20 0.40
F2 P00734 1/20 0.40
PPARG P37231 2/20 0.39
MAPKAPK2 P49137 1/20 0.39
TP53 P04637 1/20 0.38
ALOX15 P16050 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
SCHEMBL7255167 0.87 LTB4R2 (0.44) ALDH1A1HPGDSMN1; SMN2NPC1MAPT
SCHEMBL7255070 0.84 ALDH1A1 (0.40) ALDH1A1HPGDSMN1; SMN2NPC1MAPT
SCHEMBL7258615 0.78 TSHR (0.43) ALDH1A1HPGDSMN1; SMN2NPC1MAPT
SCHEMBL7256248 0.78 LMNA (0.40) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL7255149 0.78 NR1H4 (0.36) ALDH1A1HPGDSMN1; SMN2NPC1MAPT
SCHEMBL7259830 0.78 MAPKAPK2 (0.38) ALDH1A1HPGDSMN1; SMN2NPC1MAPT
SCHEMBL7259783 0.76 MAPKAPK2 (0.39) SMN1; SMN2MAPKAPK2
SCHEMBL7256009 0.73 NPC1 (0.38) ALDH1A1HPGDSMN1; SMN2NPC1MAPT
SCHEMBL7259765 0.72 LTB4R2 (0.39) ALDH1A1HPGDSMN1; SMN2NPC1MAPT
SCHEMBL7256246 0.71 LMNA (0.40) ALDH1A1HPGDSMN1; SMN2NPC1KDM4E

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 2 patents. 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
WO-2003099812-A1 PHENYL-FURAN OR PHENYL-THIOPHENE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICINE PIERRE FABRE MEDICAMENT (FR) 2003-12-04 WO disclosed