SCHEMBL24666144

SCHEMBL24666144

Cn1c(=S)c2c(ncn2Cc2ccc(/C=C3\C(=O)NC(=O)NC3O)cc2)n(C)c1=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ ABCC8 Q09428 1/20 0.42
▸ KCNJ11 Q14654 1/20 0.42
▸ ADORA2B P29275 7/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ RXFP1 Q9HBX9 2/20 0.42
▸ HTT P42858 2/20 0.41
▸ UBE2N P61088 2/20 0.41
▸ GLA P06280 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ POLB P06746 2/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL24559309 0.91 LMNA (0.58) LMNAMAPK1ABCC8KCNJ11ADORA2B
SCHEMBL24559156 0.84 LMNA (0.49) LMNAMAPK1ABCC8KCNJ11ADORA2B
SCHEMBL24559151 0.79 LMNA (0.48) LMNAMAPK1ABCC8KCNJ11ADORA2B
SCHEMBL24666143 0.78 LMNA (0.58) LMNAMAPK1ABCC8KCNJ11ADORA2B
SCHEMBL24559279 0.78 MYC (0.52) LMNAMAPK1ABCC8KCNJ11ADORA2B
SCHEMBL24559153 0.76 LMNA (0.51) LMNAMAPK1ABCC8KCNJ11ADORA2B
SCHEMBL24559268 0.74 LMNA (0.63) LMNAMAPK1ABCC8KCNJ11ADORA2B
SCHEMBL24559307 0.73 LMNA (0.61) LMNAMAPK1ABCC8KCNJ11ADORA2B
SCHEMBL24559129 0.73 LMNA (0.60) LMNAMAPK1ABCC8KCNJ11ADORA2B
SCHEMBL24559245 0.72 LMNA (0.60) LMNAMAPK1ABCC8KCNJ11ADORA2B

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-2022159818-A1 POLY(ADP-RIBOSE) GLYCOHYDROLASE (PARG) INHIBITORS AGAINST COVID MACRODOMAIN AND METHODS OF USING THE SAME BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-07-28 — — WO disclosed
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