SCHEMBL23784651

SCHEMBL23784651

Cc1cc(Cl)cc(C2(C(F)(F)F)CC(c3ccc(C(=O)N4CCNCC4)c(C)c3)=NO2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
BRD9 Q9H8M2 1/20 0.34
SCN5A Q14524 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
KDM1A O60341 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
SRC P12931 1/20 0.33
ORAI1 Q96D31 2/20 0.33
PTGS2 P35354 1/20 0.33
HSP90AA1 P07900 1/20 0.32
ABL1 P00519 1/20 0.32
KCNH2 Q12809 2/20 0.32
CCNC P24863 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
SCHEMBL16689278 0.96 HRH4 (0.36) PIK3CAMTORHRH4BRD9SCN5A
SCHEMBL23784648 0.88 PKM (0.35) ORAI1
SCHEMBL16689412 0.85 HTT (0.34) KDM4ELMNAHTTSMN1; SMN2
SCHEMBL22135784 0.85 RXRB (0.39) HTTORAI1PTGS2
SCHEMBL23784649 0.85 RORC (0.35) PIK3CAMTORKDM4ELMNAHTT
SCHEMBL16689438 0.84 PKM (0.35) HTT
SCHEMBL16689401 0.83 POLB (0.41) LMNARXFP1
SCHEMBL16689398 0.83 RORC (0.41) PIK3CAMTORKDM4ELMNAHTT
SCHEMBL16688175 0.82 HRH4 (0.38) PIK3CAMTORHRH4BRD9SCN5A
SCHEMBL23784627 0.81 P2RX7 (0.37) HTT

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-3063144-B1 ANTIPARASITIC AND PESTICIDAL ISOXAZOLINE COMPOUNDS BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2021-09-08 EP disclosed