SCHEMBL5030596

SCHEMBL5030596

Cc1cccc(-n2c(C)ccc2C)c1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
GAA P10253 2/20 0.57
USP2 O75604 1/20 0.57
TP53 P04637 1/20 0.57
HTT P42858 1/20 0.57
ALDH1A1 P00352 4/20 0.48
MAPT P10636 4/20 0.48
LMNA P02545 3/20 0.48
ALOX15 P16050 3/20 0.48
CASP1 P29466 2/20 0.48
THRB P10828 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CD44 P16070 1/20 0.48
CASP7 P55210 1/20 0.44
MYC P01106 8/20 0.41
NR4A1 P22736 2/20 0.41
ESR1 P03372 1/20 0.35
PTPN7 P35236 1/20 0.35

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
SCHEMBL12925868 0.77 HTT (0.50) KDM4EMEN1KMT2AGAAUSP2
SCHEMBL13170405 0.77 KDM4E (0.60) KDM4EMEN1KMT2AGAAUSP2
SCHEMBL30963679 0.74 CYP1A2 (0.53) KDM4EMEN1KMT2AGAAUSP2
SCHEMBL30758082 0.74 CYP1A2 (0.53) KDM4EMEN1KMT2AGAAUSP2
SCHEMBL2976296 0.73 KDM4E (1.00) KDM4EMEN1KMT2AGAAUSP2
SCHEMBL16776729 0.72 CD44 (0.72) KDM4EGAATP53ALDH1A1LMNA
SCHEMBL106244 0.72
Bromide SCHEMBL10391086 0.70 CD44 (0.68) KDM4EGAATP53ALDH1A1LMNA
Ammonia Solution, Strong SCHEMBL1289383 0.70 CD44 (0.68) KDM4EGAATP53ALDH1A1LMNA
Bromide SCHEMBL28370305 0.70 CD44 (0.68) KDM4EGAATP53ALDH1A1LMNA

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-2453496-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, NOVEL COMPOUND, LIGHTING DEVICE AND DISPLAY DEVICE Konica Minolta Holdings, Inc. (JP) 2012-05-16 EP disclosed