SCHEMBL23729671

SCHEMBL23729671

Cc1c(C(=O)C2=C(Cl)CCCC2=O)ccc2c1c(=O)n(C1CCCC1)c(=O)n2C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPD P32754 3/20 0.42
PRKDC P78527 12/20 0.35
PIK3CA P42336 9/20 0.35
MTOR P42345 4/20 0.34
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CSF1R P07333 1/20 0.33
TTK P33981 1/20 0.33
HSD11B1 P28845 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DRD2 P14416 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL23729702 0.90 HPD (0.43) HPDPRKDCPIK3CAMTORCRHBP
SCHEMBL23729675 0.86 HPD (0.41) HPDPRKDCPIK3CAMTORCRHBP
SCHEMBL23729852 0.84 HPD (0.40) HPDPRKDCPIK3CAMTORCRHBP
SCHEMBL23729853 0.82 HPD (0.38) HPDPRKDCPIK3CAMTORCRHBP
SCHEMBL23729677 0.82 HPD (0.40) HPDPRKDCPIK3CAMTORCRHBP
SCHEMBL23729698 0.81 HPD (0.38) HPDL3MBTL1
SCHEMBL23730146 0.81 HPD (0.47) HPDPRKDCPIK3CAMTORCRHBP
SCHEMBL23730136 0.80 HPD (0.41) HPDPRKDCPIK3CAMTORCRHBP
SCHEMBL23729700 0.80 HPD (0.40) HPDPRKDCPIK3CAMTORCSF1R
SCHEMBL23730144 0.72 HPD (0.44) HPDPRKDCPIK3CAMTORCRHBP

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-3858818-A1 TRIKETONE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF, AND HERBICIDE Shandong Cynda Chemical Co., LTD. (CN) 2021-08-04 EP disclosed