SCHEMBL23784649

SCHEMBL23784649

Cc1cc(Cl)cc(C2(C(F)(F)F)CC(c3ccc(C(=O)N4CCN(CC(F)(F)F)C4)c(C)c3)=NO2)c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.35
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ORAI1 Q96D31 2/20 0.31
EGLN1 Q9GZT9 1/20 0.30
PIK3CA P42336 2/20 0.30
MTOR P42345 2/20 0.30

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
SCHEMBL16689398 0.91 RORC (0.41) RORCKDM4ELMNAHTTSMN1; SMN2
SCHEMBL16689436 0.85 RORC (0.37) RORCKDM4ELMNAHTTSMN1; SMN2
SCHEMBL23784651 0.85 PIK3CA (0.34) KDM4ELMNAHTTSMN1; SMN2ORAI1
SCHEMBL23784648 0.83 PKM (0.35) ORAI1
SCHEMBL16689417 0.83 P2RX7 (0.45)
SCHEMBL16688228 0.82 PTGDR2 (0.32) RORCKDM4ELMNAHTTSMN1; SMN2
SCHEMBL16689440 0.82 P2RX7 (0.37)
SCHEMBL16689412 0.82 HTT (0.34) RORCKDM4ELMNAHTTSMN1; SMN2
SCHEMBL16689416 0.82 P2RX7 (0.33)
SCHEMBL22135784 0.82 RXRB (0.39) HTTORAI1

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