SCHEMBL21784392

SCHEMBL21784392

N#CC(C#N)=Cc1ccc(C(=O)CC(=O)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.48
MEN1 O00255 8/20 0.48
KMT2A Q03164 8/20 0.48
ALDH1A1 P00352 7/20 0.48
KDM4E B2RXH2 4/20 0.46
LMNA P02545 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
POLB P06746 2/20 0.46
EGFR P00533 1/20 0.44
MAPK1 P28482 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 2/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
CES1 P23141 1/20 0.42
THRB P10828 1/20 0.41

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
SCHEMBL5496749 0.85 ALDH1A1 (0.63) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL21784390 0.80 MAPT (0.63) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL880383 0.80 MAPT (0.56) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL21784398 0.80 MEN1 (0.50) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL17466933 0.79 KMT2A (0.74) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL28627982 0.79 MAPT (0.54) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL21784388 0.78 MAPT (0.53) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL7905288 0.75 ALDH1A1 (0.69) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL7905291 0.75 ALDH1A1 (0.69) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL7716072 0.75 ALDH1A1 (0.69) MAPTMEN1KMT2AALDH1A1KDM4E

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-2020044213-A1 DIPHENYLAMINO-METHYLENE MALONONITRILE BASED COMPOUNDS AS FLUORESCENCE PROBES UNIVERSITY OF HYDERABAD (IN) 2020-03-05 WO disclosed