SCHEMBL9101050

SCHEMBL9101050

CCc1c(OC)cccc1C(=O)N(NC(C)(C)C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
MAPT P10636 5/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALOX12 P18054 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
HPGD P15428 4/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40

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
SCHEMBL9102868 0.87 TSHR (0.40) MAPTALDH1A1HTTLMNAKDM4E
SCHEMBL5064327 0.84 ABCB1 (0.47) G6PDCRHBPCRHR2
SCHEMBL17416629 0.80 CTSD (0.43) LMNAKDM4EHPGDNPC1RAB9A
SCHEMBL27356523 0.79 KDM4E (0.39) MAPTALDH1A1HTTLMNAKDM4E
SCHEMBL5053857 0.77 ABCB1 (0.49) G6PDCRHBPCRHR2
SCHEMBL2482845 0.77 ABCB1 (0.51) CYP3A4NPC1RAB9A
SCHEMBL18091874 0.77 MAPT (0.43) MAPTHTTLMNAKDM4EMEN1
SCHEMBL18091865 0.76 NPC1 (0.48) MAPTALDH1A1L3MBTL1HTTLMNA
SCHEMBL9100311 0.76 RAB9A (0.43) MAPTLMNAPKMNPC1RAB9A
SCHEMBL18091870 0.75 NPC1 (0.35) MAPTLMNAMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2460786-A1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex Intrexon Corporation (US) 2012-06-06 EP disclosed