SCHEMBL21758758

SCHEMBL21758758

C=Cc1cccc(C(=C)CCC#N)c1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
UNG P13051 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
SCHEMBL23981717 0.86 UNG (0.47) MEN1KMT2AALDH1A1UNG
SCHEMBL21758828 0.76 MAOA (0.44) KMT2AALDH1A1
SCHEMBL19621066 0.75 TP53 (0.42) TP53TDP1MEN1KMT2AALDH1A1
SCHEMBL14992845 0.75 TDP1 (0.47) TP53TDP1MEN1KMT2AALDH1A1
Styrene SCHEMBL11314880 0.71 ALDH1A1 (0.47) TP53TDP1ALDH1A1TSHR
SCHEMBL17529236 0.70 TP53 (0.48) TP53TDP1MEN1KMT2AALDH1A1
SCHEMBL21758843 0.69 MEN1 (0.30) TDP1MEN1KMT2A
SCHEMBL28236456 0.69 TDP1 (0.47) TP53TDP1MEN1KMT2AALDH1A1
SCHEMBL12449053 0.69 TP53 (0.47) TP53TDP1MEN1KMT2AALDH1A1
SCHEMBL12449046 0.69 TP53 (0.47) TP53TDP1MEN1KMT2AALDH1A1

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