SCHEMBL7255144

SCHEMBL7255144

O=C(O)c1ccc(-c2ccc(N(Cc3cccnc3)C(=O)c3ccccc3)cc2)o1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.59
TSHR P16473 1/20 0.59
LTB4R2 Q9NPC1 1/20 0.47
PDK1 Q15118 8/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
PTGES O14684 4/20 0.45
ALOX5 P09917 4/20 0.45
CYP3A4 P08684 1/20 0.45
MAPKAPK2 P49137 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44

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
SCHEMBL7260731 0.90 GAA (0.55) GAATSHRPDK1ALDH1A1KDM4E
SCHEMBL13571398 0.75 TSHR (0.84) GAATSHRLTB4R2PDK1LMNA
SCHEMBL7260764 0.74 ALDH1A1 (0.43) GAATSHRLTB4R2ALDH1A1HPGD
SCHEMBL7255356 0.73 FNTA (0.49) MAPKAPK2
SCHEMBL364612 0.72 ALDH1A1 (0.62) ALDH1A1HPGDCYP3A4
SCHEMBL22289326 0.72 GAA (0.73) GAATSHRALDH1A1LMNAHTT
SCHEMBL7255242 0.70 PDK1 (0.41) GAAPDK1ALDH1A1KDM4ELMNA
SCHEMBL8332050 0.69 KMT2A (0.71) GAATSHRLTB4R2PDK1ALDH1A1
SCHEMBL11835262 0.69 GAA (0.63) GAATSHRALDH1A1LMNAHTT
SCHEMBL1399532 0.69 GAA (0.56) GAATSHRALDH1A1LMNAHTT

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