SCHEMBL29136962

SCHEMBL29136962

O=C(O)C=C1C(=O)Nc2ccc(Cl)cc21

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 3/20 0.76
IDO1 P14902 2/20 0.76
TDO2 P48775 2/20 0.76
LRRK2 Q5S007 7/20 0.62
PSEN1 P49768 2/20 0.59
PSEN2 P49810 2/20 0.59
APH1B Q8WW43 2/20 0.59
NCSTN Q92542 2/20 0.59
APH1A Q96BI3 2/20 0.59
PSENEN Q9NZ42 2/20 0.59
CDYL2 Q8N8U2 1/20 0.57
CDYL Q9Y232 1/20 0.57
CDY1; CDY1B Q9Y6F8 1/20 0.57
CES1 P23141 1/20 0.56
PDGFRB P09619 2/20 0.55
RPS6KA3 P51812 1/20 0.53
RET P07949 1/20 0.52
EGFR P00533 1/20 0.52
ERBB2 P04626 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
SCHEMBL29136960 1.00 TGM2 (0.76) TGM2IDO1TDO2LRRK2PSEN1
SCHEMBL9900996 0.86 TGM2 (1.00) TGM2IDO1TDO2LRRK2PSEN1
SCHEMBL9900993 0.86 TGM2 (1.00) TGM2IDO1TDO2LRRK2PSEN1
SCHEMBL29879570 0.82 TGM2 (0.72) TGM2IDO1TDO2LRRK2PSEN1
SCHEMBL29137069 0.82 TGM2 (0.72) TGM2IDO1TDO2LRRK2PSEN1
SCHEMBL24739854 0.82 TGM2 (0.72) TGM2IDO1TDO2LRRK2PSEN1
SCHEMBL4858381 0.82 TGM2 (0.72) TGM2IDO1TDO2LRRK2PSEN1
SCHEMBL4858391 0.82 TGM2 (0.72) TGM2IDO1TDO2LRRK2PSEN1
SCHEMBL1534169 0.80 LRRK2 (0.65) TGM2IDO1TDO2LRRK2PSEN1
SCHEMBL1534167 0.80 LRRK2 (0.65) TGM2IDO1TDO2LRRK2PSEN1

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
CN-117355521-A Heteroaryl inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-05 CN disclosed