SCHEMBL7873787

SCHEMBL7873787

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
MAPK1 P28482 2/20 0.44
HTT P42858 2/20 0.44
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 4/20 0.41
CYP19A1 P11511 3/20 0.41
QPCT Q16769 1/20 0.39
MEN1 O00255 3/20 0.39
GAA P10253 1/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39

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
Hydrochloric Acid SCHEMBL7879578 0.99 SMN1; SMN2 (0.43) TBXAS1SMN1; SMN2MAPK1HTTALDH1A1
SCHEMBL7868601 0.87 ALDH1A1 (0.47) TBXAS1SMN1; SMN2MAPK1HTTALDH1A1
SCHEMBL7876933 0.80 SMN1; SMN2 (0.52) SMN1; SMN2MAPK1HTTKMT2AQPCT
SCHEMBL7873915 0.79 SMN1; SMN2 (0.47) SMN1; SMN2MAPK1HTTALDH1A1KMT2A
SCHEMBL7875258 0.77 SMN1; SMN2 (0.52) SMN1; SMN2MAPK1HTTKMT2AMEN1
SCHEMBL7875252 0.77 CYP19A1 (0.48) SMN1; SMN2MAPK1HTTALDH1A1KMT2A
SCHEMBL7873773 0.77 SMN1; SMN2 (0.49) SMN1; SMN2MAPK1HTTKMT2AQPCT
SCHEMBL7868564 0.76 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1KMT2ACYP19A1MEN1
SCHEMBL8949449 0.76 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1KMT2ACYP19A1QPCT
SCHEMBL7868767 0.76 CYP19A1 (0.47) TBXAS1KMT2ACYP19A1QPCTMEN1

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-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