SCHEMBL7155651

SCHEMBL7155651

CC(=C1C(=NC#N)C(C=C2N(C)c3ccccc3C2(C)C)=C1O)C1Nc2ccccc2C1(C)C.CCN(CC)CC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.37
MEN1 O00255 8/20 0.37
KMT2A Q03164 8/20 0.37
HTT P42858 6/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
KDM4E B2RXH2 9/20 0.36
GAA P10253 5/20 0.36
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 3/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2C19 P33261 3/20 0.34
HSD17B10 Q99714 2/20 0.34
RAB9A P51151 2/20 0.34
CYP1A2 P05177 2/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C9 P11712 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
SCHEMBL5464313 0.72 MAPT (0.47) MAPTMEN1KMT2AHTTCRHBP
SCHEMBL5517797 0.71 MEN1 (0.43) MAPTMEN1KMT2AHTTCRHBP
SCHEMBL14453269 0.71 MAPT (0.46) MAPTMEN1KMT2AHTTCRHBP
SCHEMBL14453260 0.69 MAPT (0.41) MAPTMEN1KMT2AHTTCRHBP
SCHEMBL17627884 0.69 MAPT (0.35) MAPTMEN1KMT2AHTTCRHBP
SCHEMBL14075928 0.67 HTT (0.58) MAPTMEN1KMT2AHTTCRHBP
SCHEMBL14117448 0.64 MEN1 (0.53) MAPTMEN1KMT2AHTTCRHBP
SCHEMBL14093791 0.63 MAPT (0.48) MAPTMEN1KMT2AHTTCRHBP
SCHEMBL14075919 0.62 HTT (0.51) MAPTMEN1KMT2AHTTCRHBP
SCHEMBL13569247 0.61 LMNA (0.54) MAPTMEN1KMT2AHTTCRHBP

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
WO-2003087052-A2 DYES AND FLUORESCENT COMPOUNDS TERPETSCHNIG EWALD A (US) 2003-10-23 WO disclosed