SCHEMBL21758650

SCHEMBL21758650

N#CCCC(=O)c1ccccc1F

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 11/20 0.51
WNT3A P56704 11/20 0.51
PTPN1 P18031 1/20 0.50
ERCC5 P28715 1/20 0.50
FEN1 P39748 1/20 0.50
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
HPGD P15428 2/20 0.48
ALDH1A1 P00352 2/20 0.46
ALOX15 P16050 1/20 0.46
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL30089515 0.82 CTNNB1 (0.68) CTNNB1WNT3APTPN1ERCC5FEN1
SCHEMBL138307 0.81 PTPN1 (0.53) CTNNB1WNT3APTPN1ERCC5FEN1
SCHEMBL14732971 0.81 CTNNB1 (0.61) CTNNB1WNT3APTPN1ERCC5FEN1
SCHEMBL27257973 0.80 CES2 (0.47) CES2CES1KMT2AMEN1MAPT
SCHEMBL23982058 0.79 MEN1 (0.41) CTNNB1WNT3APTPN1ERCC5FEN1
SCHEMBL26261196 0.79 CTNNB1 (0.51) CTNNB1WNT3AERCC5FEN1KMT2A
SCHEMBL24069168 0.79 ERCC5 (0.50) ERCC5FEN1CES2CES1KMT2A
SCHEMBL9178035 0.76 ALDH1A1 (0.47) CES2CES1KMT2AMEN1MAPT
SCHEMBL8616416 0.76 CTNNB1 (0.56) CTNNB1WNT3APTPN1ERCC5FEN1
SCHEMBL3121320 0.76 ALDH1A1 (0.57) CTNNB1WNT3APTPN1ERCC5FEN1

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