SCHEMBL24201744

SCHEMBL24201744

Bc1ccc(B)c(C(N)=O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 4/20 0.37
MAPT P10636 4/20 0.37
HSD17B10 Q99714 3/20 0.37
TSHR P16473 2/20 0.37
HPGD P15428 1/20 0.37
DGAT1 O75907 1/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 2/20 0.34
MAPK1 P28482 1/20 0.34
METAP2 P50579 1/20 0.34
GAA P10253 2/20 0.34
IKBKB O14920 3/20 0.33
BCAT2 O15382 1/20 0.33
NNMT P40261 1/20 0.32
GLA P06280 1/20 0.32
CHUK O15111 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
ATM Q13315 1/20 0.31
SIRT3 Q9NTG7 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
SCHEMBL13283441 0.84 DGAT1 (0.41) ALDH1A1KDM4EMAPTHSD17B10TSHR
SCHEMBL6128269 0.80 KDM4E (0.50) ALDH1A1KDM4EMAPTHSD17B10TSHR
SCHEMBL15616745 0.78 DGAT1 (0.46) ALDH1A1KDM4EMAPTHSD17B10TSHR
SCHEMBL14366362 0.78 TDP1 (0.46) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL24728229 0.76 IKBKB (0.40) ALDH1A1KDM4EMAPTHSD17B10TSHR
SCHEMBL24103127 0.75 PKM (0.34) ALDH1A1KDM4EMAPTHSD17B10TSHR
SCHEMBL17301810 0.71 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTHSD17B10TSHR
SCHEMBL22097390 0.70 KMT2A (0.46) ALDH1A1KDM4EHSD17B10TSHRHPGD
SCHEMBL9967911 0.69 TSHR (0.53) ALDH1A1KDM4EMAPTHSD17B10TSHR
SCHEMBL13652578 0.67 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTHSD17B10TSHR

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
EP-3083723-B1 CATALYST SYSTEM FOR POLYMERISATION OF AN OLEFIN SAUDI BASIC IND CORP (SA) 2022-01-19 EP disclosed