SCHEMBL7876964

SCHEMBL7876964

CC(C)(COc1ccccc1)NCCCn1cncc1CCNS(=O)(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
ALDH1A1 P00352 7/20 0.39
TBXAS1 P24557 2/20 0.39
TBXA2R P21731 1/20 0.39
CYP19A1 P11511 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTT P42858 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
LMNA P02545 3/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 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
SCHEMBL7877035 0.82 NPC1 (0.41) GAATDP1HTTMEN1KMT2A
SCHEMBL7873737 0.81 GAA (0.41) GAAALDH1A1TBXAS1TBXA2RCYP19A1
SCHEMBL7873758 0.69 TBXAS1 (0.56) GAAALDH1A1TBXAS1TDP1HTT
SCHEMBL9022390 0.67 HTR1B (0.38) TBXAS1TDP1L3MBTL1
SCHEMBL7877344 0.65 TBXAS1 (0.53) GAAALDH1A1TBXAS1TDP1HTT
SCHEMBL7879771 0.65 CYP2C9 (0.38) TDP1
SCHEMBL7913580 0.64 LTA4H (0.47) ALDH1A1TDP1HTTMAPK1SMN1; SMN2
SCHEMBL1880968 0.64 ALDH1A1 (0.72) ALDH1A1TBXAS1TBXA2RTDP1HTT
SCHEMBL9771134 0.63 ALDH1A1 (0.53) GAAALDH1A1TDP1HTTMEN1
SCHEMBL28509572 0.63 LTA4H (0.46) ALDH1A1TDP1HTTMAPK1SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6326500-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS ABBOTT LABORATORIES 2001-12-04 US disclosed
US-6215001-B1 ANTIINFLAMMATORY AGENTS, ANTIASTHMATICS, AND ANTIALLERGENS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 2001-04-10 US disclosed
US-6031109-A Phenoxy-, phenylthio-, benzoyl-alkyleneaminoalkylene-imidazole derivatives as therapeutic agents KNOLL AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
EP-0705251-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS Knoll AG (DE) 1996-04-10 EP disclosed
WO-1995000493-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-01-05 WO disclosed