SCHEMBL21758653

SCHEMBL21758653

C=C(CCC#N)c1ccccc1C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
TSHR P16473 2/20 0.35
ERCC5 P28715 1/20 0.35
FEN1 P39748 1/20 0.35
CTNNB1 P35222 3/20 0.34
WNT3A P56704 3/20 0.34
HPGD P15428 2/20 0.33
KMT2A Q03164 2/20 0.33
RECQL P46063 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.31
GAA P10253 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
SCHEMBL29118801 0.88 MAOA (0.45) MAOAMAOBTSHRERCC5FEN1
SCHEMBL23982058 0.79 MEN1 (0.41) ERCC5FEN1CTNNB1WNT3AHPGD
SCHEMBL26261196 0.79 CTNNB1 (0.51) ERCC5FEN1CTNNB1WNT3AHPGD
SCHEMBL13067921 0.77 ALDH1A1 (0.30) TSHRKDM4EGAA
SCHEMBL7197694 0.77 MAOA (0.55) MAOAMAOBTSHRERCC5FEN1
SCHEMBL15966565 0.77 MAOA (0.59) MAOAMAOBTSHRERCC5FEN1
SCHEMBL21758830 0.76 ALDH1A1 (0.33)
SCHEMBL7193411 0.74 MAOA (0.51) MAOAMAOBTSHRERCC5FEN1
SCHEMBL21758828 0.73 MAOA (0.44) MAOAMAOBKMT2AMAPK1
SCHEMBL25137479 0.73 MAOA (0.50) MAOAMAOBERCC5FEN1CTNNB1

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-2020040840-A2 EXPANDING THE CHEMICAL SUBSTRATES FOR GENETIC CODE REPROGRAMMING NORTHWESTERN UNIVERSITY (US) 2020-02-27 WO disclosed