SCHEMBL9718780

SCHEMBL9718780

CN(C=O)C(=C[N+](=O)[O-])NCc1cnc(Cl)s1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL7670470 0.89 RECQL (0.38) RECQLMAPTPOLBGAAKMT2A
SCHEMBL7666642 0.89 RECQL (0.38) RECQLMAPTPOLBGAAKMT2A
SCHEMBL7666530 0.88 FPR2 (0.34)
SCHEMBL8401700 0.86 RECQL (0.36) RECQLMAPTPOLBGAAKMT2A
SCHEMBL7671870 0.79 MAPT (0.42) RECQLMAPTPOLBGAAKMT2A
SCHEMBL7684960 0.78 FAAH (0.41) MAPTGAAKDM4EL3MBTL1ALDH1A1
SCHEMBL7665692 0.78 RECQL (0.39) RECQLMAPTPOLBGAAKMT2A
SCHEMBL7671648 0.78 RECQL (0.39) RECQLMAPTPOLBGAAKMT2A
SCHEMBL9193825 0.77 MAPT (0.36) RECQLMAPTPOLBGAAKMT2A
SCHEMBL7662389 0.77 MAPT (0.46) RECQLMAPTPOLBGAAKMT2A

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
US-5175301-A Insecticide, miticide, pesticide TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-29 US disclosed