SCHEMBL23784652

SCHEMBL23784652

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

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.34
PKM P14618 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
HTT P42858 1/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
SHMT1 P34896 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
NLRP3 Q96P20 1/20 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
SCHEMBL1468064 0.92 RECQL (0.37) RECQLPKMKDM4EMAPTHTT
SCHEMBL31191610 0.88 RXRA (0.38) KDM4EMAPTCA1CA2
SCHEMBL2015664 0.87 RXRB (0.47) RECQLCA1CA2
SCHEMBL24894946 0.87 RECQL (0.34) RECQLPKMKDM4EMAPTHTT
SCHEMBL3362297 0.87 PDE3B (0.34) KDM4EMAPTPDE3BPDE3A
SCHEMBL30821160 0.86 GPR52 (0.40) KDM4ECA1CA2
SCHEMBL19723134 0.85 HTT (0.33) RECQLPKMKDM4EMAPTHTT
SCHEMBL16688172 0.85 KDM4E (0.39) KDM4EMAPTCA1CA2
SCHEMBL23784647 0.84 PDE3B (0.44) RECQLPKMKDM4EMAPTPDE3B
SCHEMBL3359275 0.84 PDE3B (0.40) RECQLPKMKDM4EMAPTHTT

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