SCHEMBL7879458

SCHEMBL7879458

CC(C)(N)c1ccc(CCNS(=O)(=O)c2ccc(C#N)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.62
CYP19A1 P11511 3/20 0.55
ALDH1A1 P00352 6/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 2/20 0.53
HTT P42858 2/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL7879606 0.83 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2LMNAHTTMEN1
SCHEMBL7868628 0.81 ALDH1A1 (0.77) ALDH1A1SMN1; SMN2LMNAHTTMEN1
SCHEMBL10462588 0.80 LSS (0.67) LSSCYP19A1ALDH1A1SMN1; SMN2LMNA
SCHEMBL7868677 0.80 LSS (0.74) LSSCYP19A1ALDH1A1MEN1KMT2A
SCHEMBL7911281 0.80 ALDH1A1 (0.79) LSSCYP19A1ALDH1A1SMN1; SMN2MEN1
SCHEMBL9021038 0.78 LSS (0.65) LSSCYP19A1ALDH1A1SMN1; SMN2LMNA
SCHEMBL10461550 0.77 LSS (0.63) LSSCYP19A1ALDH1A1SMN1; SMN2LMNA
SCHEMBL7877032 0.76 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2LMNAHTTKMT2A
SCHEMBL12203599 0.76 CYP19A1 (0.58) LSSCYP19A1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL7877042 0.74 PDE4A (0.65) LSSALDH1A1SMN1; SMN2LMNAHTT

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