SCHEMBL29953846

SCHEMBL29953846

COc1cc(C)c(C=O)cn1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.50
ERN1 O75460 6/20 0.47
MEN1 O00255 1/20 0.40
PABPC1 P11940 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP2A6 P11509 1/20 0.37
PRKDC P78527 1/20 0.36
POLQ O75417 1/20 0.36
GRIA1 P42261 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA3 P42263 1/20 0.35
GRIA4 P48058 1/20 0.35
LMNA P02545 1/20 0.35
ABL1 P00519 1/20 0.34

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
SCHEMBL587068 1.00 NNMT (0.50) NNMTERN1MEN1PABPC1KMT2A
SCHEMBL16078300 0.85 NNMT (0.50) NNMTERN1MEN1PABPC1KMT2A
SCHEMBL30211775 0.81 ALDH1A1 (0.53) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL4983077 0.81 ALDH1A1 (0.53) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL25224579 0.79 PRKDC (0.52) NNMTERN1MEN1PABPC1KMT2A
SCHEMBL31573430 0.79 ERN1 (0.42) NNMTERN1MEN1PABPC1KMT2A
SCHEMBL29956034 0.79 ERN1 (0.42) NNMTERN1MEN1PABPC1KMT2A
SCHEMBL17161149 0.79 ERN1 (0.51) NNMTERN1MEN1PABPC1KMT2A
SCHEMBL10321799 0.79 ALDH1A1 (0.42) NNMTERN1MEN1PABPC1KMT2A
SCHEMBL587088 0.79 ERN1 (0.42) NNMTERN1MEN1PABPC1KMT2A

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed