SCHEMBL29912975

SCHEMBL29912975

CCC(C)(C)C(=O)NCc1cccnc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.68
PKM P14618 1/20 0.59
KMT2A Q03164 1/20 0.59
MAPT P10636 2/20 0.59
ALDH1A1 P00352 2/20 0.59
LMNA P02545 1/20 0.59
HTT P42858 1/20 0.59
RECQL P46063 1/20 0.59
HSD17B1 P14061 1/20 0.57
POLB P06746 1/20 0.54
FES P07332 1/20 0.54
RET P07949 1/20 0.54
MARK3 P27448 1/20 0.54
TYK2 P29597 1/20 0.54
FLT4 P35916 1/20 0.54
SYK P43405 1/20 0.54
CLK2 P49760 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL17882320 1.00 RIPK1 (0.68) RIPK1PKMKMT2AMAPTALDH1A1
SCHEMBL7756436 0.86 RECQL (0.64) PKMKMT2AMAPTALDH1A1LMNA
SCHEMBL13713518 0.86 RIPK1 (0.54) RIPK1PKMKMT2AMAPTALDH1A1
SCHEMBL15293597 0.82 ALDH1A1 (0.58) RIPK1KMT2AMAPTALDH1A1HTT
SCHEMBL9331928 0.82 MAPT (0.59) PKMKMT2AMAPTALDH1A1LMNA
SCHEMBL9331917 0.82 MAPT (0.59) PKMKMT2AMAPTALDH1A1LMNA
SCHEMBL20221145 0.81 RIPK1 (0.71) RIPK1MAPTALDH1A1LMNAHTT
SCHEMBL13774770 0.81 PKM (0.58) PKMKMT2AMAPTALDH1A1LMNA
SCHEMBL1709321 0.81 RIPK1 (1.00) RIPK1MAPTALDH1A1LMNA
SCHEMBL7663247 0.80 RECQL (0.64) PKMKMT2AMAPTALDH1A1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115197098-B Cell necrosis inhibitor 北京生命科学研究所 2023-08-08 CN disclosed
CN-115197098-A Cell necrosis inhibitor 北京生命科学研究所 2022-10-18 CN disclosed
CN-107108467-B Cell necrosis inhibitor 北京生命科学研究所 2022-08-19 CN disclosed