SCHEMBL14444902

SCHEMBL14444902

CCSc1ccccc1NC(=O)C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 4/20 0.43
▸ ALDH1A1 P00352 6/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ HPGD P15428 3/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ MAPK1 P28482 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ TSHR P16473 2/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ ADRA1D P25100 1/20 0.38
▸ ADRA1A P35348 1/20 0.38

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
SCHEMBL14355943 0.83 KMT2A (0.56) ALDH1A1KMT2AL3MBTL1GAAHPGD
SCHEMBL28346162 0.79 CETP (0.54) CETPALDH1A1KMT2AHDAC3HDAC1
SCHEMBL28277559 0.76 MAPT (0.62) ALDH1A1KMT2AHDAC3HDAC1L3MBTL1
SCHEMBL11218848 0.76 ALDH1A1 (0.63) CETPALDH1A1KMT2AHDAC3HDAC1
SCHEMBL13236107 0.73 RAB9A (0.62) ALDH1A1HPGDHSD17B10MAPK1NPC1
SCHEMBL28693497 0.73 CETP (0.48) CETPALDH1A1KMT2AHDAC3HDAC1
SCHEMBL948297 0.72 ADRA2A (0.47) CETPALDH1A1HDAC3HDAC1L3MBTL1
SCHEMBL14383870 0.70 ADRA2A (0.46) CETPALDH1A1HDAC3HDAC1L3MBTL1
SCHEMBL23302280 0.69 ADRA2A (0.45) CETPALDH1A1HDAC3HDAC1L3MBTL1
SCHEMBL17325503 0.69 ADRA1D (0.53) CETPALDH1A1KMT2AL3MBTL1GAA

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-7250525-B2 Stilbene derivatives and their use for binding and imaging amyloid plaques THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2007-07-31 — — US disclosed
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