SCHEMBL7873737

SCHEMBL7873737

CC(C)(COc1ccccc1)NCCCn1cnc(CCNS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
CYP19A1 P11511 3/20 0.40
ALDH1A1 P00352 8/20 0.39
TBXA2R P21731 1/20 0.39
TBXAS1 P24557 1/20 0.39
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
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
KCNA5 P22460 1/20 0.36
KCNH2 Q12809 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
SCHEMBL7879771 0.83 CYP2C9 (0.38) TDP1
SCHEMBL7876964 0.81 GAA (0.41) GAACYP19A1ALDH1A1TBXA2RTBXAS1
SCHEMBL7876986 0.80 ALDH1A1 (0.41) GAAALDH1A1TBXAS1HTTMEN1
SCHEMBL9022390 0.72 HTR1B (0.38) TBXAS1L3MBTL1TDP1
SCHEMBL7873758 0.71 TBXAS1 (0.56) GAAALDH1A1TBXAS1HTTMEN1
SCHEMBL8172774 0.68 TDP1 (0.49) GAACYP19A1ALDH1A1TBXA2RTBXAS1
SCHEMBL7877344 0.67 TBXAS1 (0.53) GAAALDH1A1TBXAS1HTTMEN1
SCHEMBL7873784 0.65 ALDH1A1 (0.55) CYP19A1ALDH1A1TBXAS1HTTKMT2A
SCHEMBL22490214 0.64 ADAMTS4 (0.38) GAAHTTPKMKCNH2
SCHEMBL7913580 0.64 LTA4H (0.47) ALDH1A1HTTMAPK1SMN1; SMN2LMNA

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 4 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
WO-1995000493-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-01-05 WO disclosed