SCHEMBL7868564

SCHEMBL7868564

CCCN(CCC)S(=O)(=O)c1ccc(C(C)(C)NCCCn2ccnc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.58
RXFP1 Q9HBX9 1/20 0.48
ALDH1A1 P00352 1/20 0.47
CYP19A1 P11511 4/20 0.44
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
CA12 O43570 3/20 0.42
CA9 Q16790 3/20 0.42
POLB P06746 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL7873915 0.79 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1CYP19A1KMT2AMEN1
SCHEMBL8949449 0.78 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1CYP19A1KMT2AMEN1
SCHEMBL7868601 0.77 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1CYP19A1KMT2AMEN1
SCHEMBL7868665 0.77 SMN1; SMN2 (0.41) SMN1; SMN2RXFP1ALDH1A1CYP19A1KMT2A
SCHEMBL8443962 0.77 LMNA (0.56) SMN1; SMN2ALDH1A1KMT2AMEN1POLB
SCHEMBL7879569 0.77 QPCT (0.49) SMN1; SMN2ALDH1A1KMT2AMEN1POLB
Hydrochloric Acid SCHEMBL8949432 0.77 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1CYP19A1KMT2AMEN1
SCHEMBL13696720 0.76 CYP11B1 (0.55) SMN1; SMN2ALDH1A1CYP19A1
SCHEMBL7873787 0.76 TBXAS1 (0.44) SMN1; SMN2ALDH1A1CYP19A1KMT2AMEN1
Hydrochloric Acid SCHEMBL2887150 0.76 LMNA (0.55) SMN1; SMN2ALDH1A1KMT2AMEN1POLB

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