SCHEMBL7868665

SCHEMBL7868665

CCCCC(CS(N)(=O)=O)c1ccc(C(C)(C)NCCCn2ccnc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.41
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 4/20 0.40
CYP19A1 P11511 3/20 0.39
MAPK1 P28482 2/20 0.39
HTT P42858 1/20 0.39
TBXAS1 P24557 2/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 3/20 0.38
GAA P10253 1/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL9271416 0.79 QPCT (0.44) SMN1; SMN2KMT2ACYP19A1MAPK1HTT
SCHEMBL8522126 0.78 TBXAS1 (0.54) SMN1; SMN2KMT2AMAPK1HTTTBXAS1
SCHEMBL7868564 0.77 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1KMT2ACYP19A1MEN1
SCHEMBL8949312 0.76 LMNA (0.48) SMN1; SMN2ALDH1A1KMT2AHTTLMNA
SCHEMBL7868601 0.76 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1KMT2ACYP19A1MAPK1
SCHEMBL7873915 0.76 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1KMT2ACYP19A1MAPK1
SCHEMBL7873787 0.75 TBXAS1 (0.44) SMN1; SMN2ALDH1A1KMT2ACYP19A1MAPK1
SCHEMBL8949449 0.74 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1KMT2ACYP19A1LMNA
Hydrochloric Acid SCHEMBL7879578 0.74 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1KMT2ACYP19A1MAPK1
Hydrochloric Acid SCHEMBL8949432 0.73 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1KMT2ACYP19A1LMNA

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