SCHEMBL5131994

SCHEMBL5131994

CC(C)(C)N(C(=O)O)S(=O)(=O)Nc1ccc2nc(N[C@@H]3CCc4ccccc43)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 1/20 0.39
LMNA P02545 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGDS O60760 1/20 0.37
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
PFKFB3 Q16875 3/20 0.35
GLP1R P43220 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CA1 P00915 1/20 0.34

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
SCHEMBL3412817 0.86 SMN1; SMN2 (0.42) LMNAKDM4EALOX15TSHRSMN1; SMN2
SCHEMBL4097398 0.84 KDM4E (0.38) LMNAKDM4EALOX15TSHRSMN1; SMN2
SCHEMBL4098123 0.83 DDB1 (0.39) BRS3LMNAKDM4EALOX15TSHR
SCHEMBL3409104 0.82 HPGDS (0.39) BRS3LMNAKDM4EALOX15TSHR
SCHEMBL4105895 0.81 PFKFB3 (0.37) LMNAKDM4EALOX15TSHRSMN1; SMN2
SCHEMBL4104986 0.81 LMNA (0.39) LMNAKDM4EALOX15TSHRSMN1; SMN2
SCHEMBL7602597 0.81 CA1 (0.49) LMNAKDM4EALOX15TSHRSMN1; SMN2
SCHEMBL7601995 0.81 BRS3 (0.39) BRS3LMNAKDM4EALOX15TSHR
SCHEMBL4100057 0.81 FADS1 (0.41) LMNAKDM4EALOX15TSHRSMN1; SMN2
SCHEMBL3401353 0.81 PFKFB3 (0.41) LMNAKDM4EALOX15TSHRSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US claimed
US-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US disclosed