SCHEMBL27848554

SCHEMBL27848554

Nc1ccccc1C1=NCC(C2=CCCC=C2)O1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL27848552 0.78 HDAC3 (0.41) ALDH1A1L3MBTL1
SCHEMBL27806570 0.78 HDAC3 (0.41) ALDH1A1L3MBTL1
SCHEMBL28986877 0.74 TAAR1 (0.40) ALDH1A1
SCHEMBL34460861 0.62 TSHR (0.50) ALDH1A1
SCHEMBL31158568 0.62 TSHR (0.50) ALDH1A1
SCHEMBL8303539 0.60 KDM1A (0.39) ALDH1A1
SCHEMBL8303541 0.60 KDM1A (0.39) ALDH1A1
SCHEMBL2783541 0.60 ALDH1A1 (0.55) ALDH1A1
SCHEMBL17459434 0.58 PRKCZ (0.42) ALDH1A1L3MBTL1
Aminorex SCHEMBL123039 0.58 TSHR (0.45) ALDH1A1

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
CN-101973953-B Method for synthesizing chiral oxazoline MEI LUO 2012-04-18 CN claimed