SCHEMBL23784647

SCHEMBL23784647

Cc1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 5/20 0.44
PDE3A Q14432 5/20 0.44
NOTUM Q6P988 2/20 0.36
S1PR1 P21453 5/20 0.36
HSD11B1 P28845 1/20 0.33
ADCY8 P40145 1/20 0.33
ADCY1 Q08828 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
RECQL P46063 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 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
SCHEMBL1468064 0.90 RECQL (0.37) PDE3BPDE3ACA1CA2RECQL
SCHEMBL1864604 0.88 RECQL (0.34) PDE3BPDE3ACA1CA2RECQL
SCHEMBL739909 0.87 KDM4E (0.37) PDE3BPDE3ACA1CA2RECQL
SCHEMBL472735 0.86 PDE3B (0.38) PDE3BPDE3ACA1CA2RECQL
SCHEMBL1304095 0.86 CA1 (0.33) PDE3BPDE3ACA1CA2RECQL
SCHEMBL3118273 0.86 RECQL (0.33) PDE3BPDE3ACA1CA2RECQL
SCHEMBL3359275 0.86 PDE3B (0.40) PDE3BPDE3ACA1CA2RECQL
SCHEMBL536510 0.86 PDE3B (0.36) PDE3BPDE3ACA1CA2RECQL
SCHEMBL3123277 0.84 HTT (0.43) RECQLKDM4EMAPTPKM
SCHEMBL23784652 0.84 RECQL (0.34) PDE3BPDE3ACA1CA2RECQL

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