SCHEMBL27870547

SCHEMBL27870547

COC(=O)C(CN)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HIF1A Q16665 2/20 0.48
EPAS1 Q99814 2/20 0.48
FAAH O00519 1/20 0.48
PRKAB2 O43741 3/20 0.47
PRKAG1 P54619 3/20 0.47
PRKAA2 P54646 3/20 0.47
PRKAA1 Q13131 3/20 0.47
PRKAG3 Q9UGI9 3/20 0.47
PRKAG2 Q9UGJ0 3/20 0.47
PRKAB1 Q9Y478 3/20 0.47
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47
CACNA1G O43497 1/20 0.46
OPRL1 P41146 1/20 0.46
SIGMAR1 Q99720 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
Hydrochloric Acid SCHEMBL27977703 0.99 L3MBTL1 (0.52) L3MBTL1KDM4EALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL27870536 0.99 L3MBTL1 (0.52) L3MBTL1KDM4EALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL27977672 0.86 MEN1 (0.50) MEN1KMT2AFAAH
Hydrochloric Acid SCHEMBL27870550 0.86 MEN1 (0.50) MEN1KMT2AFAAH
SCHEMBL995513 0.85 KDM4E (0.54) L3MBTL1KDM4EALDH1A1MEN1KMT2A
SCHEMBL995515 0.85 KDM4E (0.54) L3MBTL1KDM4EALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL27853827 0.84 ATM (0.48) L3MBTL1KDM4EALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL27977402 0.84 ATM (0.48) L3MBTL1KDM4EALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL14245279 0.84 KDM4E (0.53) L3MBTL1KDM4EALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL14245281 0.84 KDM4E (0.53) L3MBTL1KDM4EALDH1A1MEN1KMT2A

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
CN-102471260-B Novel benzenesulfonamide compounds, method for synthesizing same, and use thereof in medicine as well as in cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2014-10-22 CN disclosed
CN-102471260-A Novel benzenesulfonamide compounds, process for their synthesis and their use in pharmaceuticals and cosmetics GALDERMA RES & DEV 2012-05-23 CN disclosed