SCHEMBL6304019

SCHEMBL6304019

CCCC(=O)Nc1ccc(Cn2c(C)nc3ccc(C(=O)O)cc32)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
MAPT P10636 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
PPARG P37231 2/20 0.53
HPGD P15428 3/20 0.46
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 3/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 3/20 0.44
NPC1 O15118 1/20 0.42
RORC P51449 1/20 0.41
PIN1 Q13526 2/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL6301230 0.90 PPARG (0.51) ALDH1A1MAPTSMN1; SMN2PPARGHPGD
SCHEMBL7651458 0.85 PPARG (0.56) ALDH1A1MAPTSMN1; SMN2PPARGHSD17B10
SCHEMBL6308437 0.84 PPARG (0.78) ALDH1A1MAPTSMN1; SMN2PPARGHPGD
SCHEMBL6301588 0.84 PPARG (0.57) ALDH1A1MAPTSMN1; SMN2PPARGHPGD
SCHEMBL6304950 0.83 ALDH1A1 (0.56) ALDH1A1MAPTSMN1; SMN2PPARGHPGD
SCHEMBL6170044 0.82 PPARG (0.64) SMN1; SMN2PPARGMEN1KMT2ALMNA
SCHEMBL6309647 0.81 PPARG (0.54) PPARG
SCHEMBL7660647 0.80 PPARG (0.56) ALDH1A1MAPTSMN1; SMN2PPARG
SCHEMBL6309778 0.80 PPARG (0.52) ALDH1A1MAPTSMN1; SMN2PPARGKDM4E
SCHEMBL7656331 0.80 PPARG (0.52) ALDH1A1MAPTSMN1; SMN2PPARGHSD17B10

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
US-6869950-B1 Benzimidazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-03-22 US disclosed
EP-1142880-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed