SCHEMBL7868601

SCHEMBL7868601

CCCCCNS(=O)(=O)Cc1ccc(C(C)(C)NCCCn2ccnc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 2/20 0.46
CYP19A1 P11511 3/20 0.46
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 1/20 0.45
QPCT Q16769 1/20 0.45
LMNA P02545 1/20 0.43
IKBKB O14920 2/20 0.42
TBXAS1 P24557 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL7873787 0.87 TBXAS1 (0.44) ALDH1A1KMT2ACYP19A1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL7879578 0.86 SMN1; SMN2 (0.43) ALDH1A1KMT2ACYP19A1HTTSMN1; SMN2
SCHEMBL7876933 0.80 SMN1; SMN2 (0.52) KMT2AHTTSMN1; SMN2MAPK1QPCT
SCHEMBL7875258 0.80 SMN1; SMN2 (0.52) KMT2AHTTSMN1; SMN2MAPK1LMNA
SCHEMBL7873915 0.78 SMN1; SMN2 (0.47) ALDH1A1KMT2ACYP19A1HTTSMN1; SMN2
SCHEMBL7875252 0.78 CYP19A1 (0.48) ALDH1A1KMT2ACYP19A1HTTSMN1; SMN2
SCHEMBL7873773 0.77 SMN1; SMN2 (0.49) KMT2AHTTSMN1; SMN2MAPK1QPCT
SCHEMBL7868564 0.77 SMN1; SMN2 (0.58) ALDH1A1KMT2ACYP19A1SMN1; SMN2GAA
SCHEMBL8949449 0.77 ALDH1A1 (0.56) ALDH1A1KMT2ACYP19A1SMN1; SMN2QPCT
SCHEMBL7873784 0.77 ALDH1A1 (0.55) ALDH1A1KMT2ACYP19A1HTTSMN1; 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