SCHEMBL21021783

SCHEMBL21021783

C=C(Nc1ccc(O)c(C(C)=O)c1)C1C(c2cc(Cl)cc(Cl)c2)C1(C)Cl

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 9/20 0.39
TMPRSS4 Q9NRS4 7/20 0.39
P2RX4 Q99571 3/20 0.39
P2RX7 Q99572 3/20 0.39
SLC9A1 P19634 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
FADS1 O60427 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
ANO1 Q5XXA6 1/20 0.33

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
SCHEMBL21021309 0.83 LMNA (0.37) NPC1RAB9AMEN1LMNAMAPT
SCHEMBL21021331 0.81 MEN1 (0.37) P2RX1TMPRSS4P2RX4P2RX7SLC9A1
SCHEMBL20076742 0.77 MEN1 (0.31) MEN1LMNAMAPTKMT2A
SCHEMBL21022361 0.77 SLC9A1 (0.33) SLC9A1
SCHEMBL20076548 0.76 POLB (0.34) SLC9A1NPC1RAB9AMEN1MAPT
SCHEMBL20076610 0.76 HDAC1 (0.35) NPC1RAB9ALMNAMAPTNR1H4
SCHEMBL21020557 0.75 NPC1 (0.32) NPC1RAB9AMEN1LMNAMAPT
SCHEMBL21020695 0.75
SCHEMBL20076998 0.74 KMT2A (0.41) SLC9A1NPC1RAB9AMEN1LMNA
SCHEMBL20076568 0.74

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-3283459-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-22 EP disclosed