SCHEMBL22017888

SCHEMBL22017888

CC(C)(CO)NC(=O)c1cc[n+](CCC(=O)O)nc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
GABRA5 P31644 5/20 0.37
POLB P06746 1/20 0.37
CNR2 P34972 9/20 0.36
CNR1 P21554 8/20 0.36
MAP4K4 O95819 1/20 0.33
KMT2A Q03164 1/20 0.33
DGAT2 Q96PD7 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
SCHEMBL22017870 0.83 MEN1 (0.38) POLBCNR2KMT2ADGAT2
SCHEMBL22336177 0.82 EGLN2 (0.37) NPC1RAB9AATMGABRA5POLB
SCHEMBL22018297 0.81 BAZ2B (0.39) POLB
SCHEMBL22018099 0.79 MAPK1 (0.35) KMT2A
SCHEMBL22017886 0.78 TP53 (0.42) POLBKMT2A
SCHEMBL22018301 0.78 HDAC4 (0.39) RAB9AGABRA5KMT2A
SCHEMBL22018315 0.77 MEN1 (0.34) NPC1POLBKMT2A
SCHEMBL22017867 0.77 KDM4E (0.32) POLBCNR2
SCHEMBL22336368 0.76 P4HTM (0.36) GABRA5POLB
Hydrochloric Acid SCHEMBL22322580 0.75 HCAR2 (0.39) GABRA5POLB

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-2020099367-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-05-22 WO disclosed