SCHEMBL7876907

SCHEMBL7876907

CCCCCCS(=O)(=O)Cc1ccc(C(C)(C)NCCCc2ncc[nH]2)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.34
NAMPT P43490 6/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
CXCR4 P61073 1/20 0.32
S1PR1 P21453 1/20 0.31
TERT O14746 1/20 0.31
AKT1 P31749 1/20 0.31
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
STS P08842 1/20 0.30
CTSD P07339 1/20 0.30

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
SCHEMBL7868667 0.80 TRPV1 (0.43) TBXAS1NAMPTHPGDSMN1; SMN2
SCHEMBL9021023 0.78 HPGD (0.48) TBXAS1NAMPTHPGDSMN1; SMN2
SCHEMBL7877318 0.78 CA9 (0.41) LMNASMN1; SMN2
SCHEMBL7875230 0.77 TBXAS1 (0.37) TBXAS1NAMPTCXCR4TERT
SCHEMBL9368177 0.76 NAMPT (0.43) TBXAS1NAMPTTERT
SCHEMBL9021230 0.76 CA9 (0.38) SMN1; SMN2
SCHEMBL7868671 0.75 TAAR1 (0.43) TBXAS1NAMPTKDM4ETERTLMNA
SCHEMBL7873787 0.75 TBXAS1 (0.44) TBXAS1LMNAHTTSMN1; SMN2
SCHEMBL7879555 0.75 TDP1 (0.47) TBXAS1LMNAHTTSMN1; SMN2
SCHEMBL7868545 0.75 TBXAS1 (0.39) TBXAS1NAMPTSMN1; 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