SCHEMBL8312504

SCHEMBL8312504

CC(=O)c1ccc(S(=O)(=O)C2CCN(C)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.59
▸ ALDH1A1 P00352 4/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ MAPT P10636 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ NAMPT P43490 4/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ HTT P42858 1/20 0.48
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ATM Q13315 1/20 0.44
▸ HTR2A P28223 2/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ DRD2 P14416 1/20 0.43
▸ SCN1A P35498 1/20 0.43
▸ SCN2A Q99250 1/20 0.43
▸ SCN3A Q9NY46 1/20 0.43

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
SCHEMBL14501613 0.80 HTR2A (0.58) ALDH1A1NAMPTPOLBHTTKMT2A
SCHEMBL5438989 0.79 LMNA (0.47) LMNAALDH1A1NAMPTL3MBTL1HTR2A
SCHEMBL14538027 0.79 NAMPT (0.46) ALDH1A1MAPTNAMPTL3MBTL1KMT2A
SCHEMBL5704984 0.78 HTR2A (0.62) NAMPTPOLBMEN1KMT2AHTR2A
SCHEMBL7029139 0.77 HTR2A (0.59) HTR2AHTR2CKCNH2DRD2
SCHEMBL14490142 0.76 HTR2A (0.61) NAMPTL3MBTL1HTR2AHTR2CKCNH2
SCHEMBL2659034 0.76 NAMPT (0.45) NAMPTL3MBTL1HTR2AHTR2CKCNH2
SCHEMBL17373706 0.75 SIRT6 (0.51) LMNAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2659035 0.75 NAMPT (0.49) LMNAALDH1A1MAPTNAMPTKMT2A
SCHEMBL5560091 0.74 LMNA (1.00) LMNAALDH1A1NPC1MAPTRAB9A

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-7442699-B2 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC (US) 2008-10-28 — — US disclosed
US-7442699-B2 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC (US) 2008-10-28 — — US disclosed
US-7429599-B2 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC (US) 2008-09-30 — — US disclosed
US-7429599-B2 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC (US) 2008-09-30 — — US disclosed
WO-2004084901-A1 METHODS FOR TREATING OR PREVENTING AN INFLAMMATORY OR METABOLIC CONDITION BY INHIBITING JNK SIGNAL PHARMACEUTICALS, LLC (US) 2004-10-07 — — WO disclosed
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