SCHEMBL8399396

SCHEMBL8399396

CC(=O)c1c(C#N)n[nH]c1-c1c(Cl)cc(OC(F)(F)F)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.36
RAPGEF3 O95398 2/20 0.34
TRPA1 O75762 3/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
DHODH Q02127 1/20 0.32
ABL1 P00519 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
ACACB O00763 1/20 0.31
PTGS2 P35354 1/20 0.30
DDR1 Q08345 2/20 0.30
CHEK1 O14757 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
SCHEMBL8397807 0.86 SMN1; SMN2 (0.35) NOTUMRAPGEF3
SCHEMBL8553570 0.85 NOTUM (0.34) NOTUMRAPGEF3TRPA1SCN5ASCN9A
SCHEMBL8556443 0.83 NOTUM (0.33) NOTUMTRPA1SCN5ASCN9A
SCHEMBL8556749 0.77 NOTUM (0.35) NOTUMTRPA1SCN5ASCN9ADHODH
SCHEMBL8554641 0.76 NOTUM (0.35) NOTUMTRPA1SCN5ASCN9ADHODH
SCHEMBL8551496 0.75 NOTUM (0.34) NOTUMTRPA1SCN5ASCN9ADHODH
SCHEMBL8398602 0.74 SMN1; SMN2 (0.37) RAPGEF3
SCHEMBL8399379 0.74 NOTUM (0.36) NOTUMRAPGEF3TRPA1SCN5ASCN9A
SCHEMBL8401038 0.74 SMN1; SMN2 (0.35) NOTUM
SCHEMBL8556302 0.74 KMT2A (0.34) DDR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0918756-A1 PARASITICIDAL PYRAZOLES Pfizer Limited (GB) 1999-06-02 EP claimed
WO-1998004530-A1 PARASITICIDAL PYRAZOLES PFIZER LIMITED (GB) 1998-02-05 WO claimed