SCHEMBL6422443

SCHEMBL6422443

CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)C2c1ccc(C)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.61
KMT2A Q03164 10/20 0.61
HTT P42858 4/20 0.61
NPSR1 Q6W5P4 4/20 0.61
GAA P10253 3/20 0.61
TSHR P16473 3/20 0.61
CASP1 P29466 3/20 0.61
USP2 O75604 2/20 0.61
CASP7 P55210 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
NPC1 O15118 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
BRCA1 P38398 1/20 0.61
HBB P68871 1/20 0.61
MAPT P10636 6/20 0.51
LMNA P02545 4/20 0.51

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
SCHEMBL4342435 0.90 MEN1 (0.61) MEN1KMT2AHTTNPSR1GAA
SCHEMBL4330222 0.81 MEN1 (0.66) MEN1KMT2AHTTNPSR1GAA
SCHEMBL4327673 0.79 MEN1 (0.60) MEN1KMT2AHTTNPSR1GAA
SCHEMBL14758482 0.79 MEN1 (0.77) MEN1KMT2AHTTNPSR1GAA
SCHEMBL6422466 0.78 MEN1 (0.63) MEN1KMT2AHTTNPSR1GAA
SCHEMBL4326101 0.76 KMT2A (1.00) MEN1KMT2AHTTNPSR1GAA
SCHEMBL28658249 0.75 MEN1 (0.62) MEN1KMT2AHTTNPSR1GAA
SCHEMBL30628031 0.75 MEN1 (0.62) MEN1KMT2AHTTNPSR1GAA
SCHEMBL4330074 0.75 MEN1 (0.56) MEN1KMT2AHTTNPSR1GAA
SCHEMBL4320530 0.75 MEN1 (0.71) MEN1KMT2AHTTNPSR1GAA

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
US-6906203-B1 Substituted 4H-chromene and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2005-06-14 US disclosed