SCHEMBL8399379

SCHEMBL8399379

N#Cc1n[nH]c(N)c1-c1c(Cl)cc(OC(F)(F)F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.36
TRPA1 O75762 3/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
DHODH Q02127 1/20 0.33
ADORA1 P30542 3/20 0.31
ADORA2A P29274 1/20 0.31
PGR P06401 1/20 0.30
RAPGEF3 O95398 1/20 0.30
USP7 Q93009 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
SCHEMBL2418512 0.82 GABRP (0.42) NOTUM
SCHEMBL8302686 0.81 DYRK1A (0.35)
SCHEMBL8551679 0.79
SCHEMBL8556749 0.77 NOTUM (0.35) NOTUMTRPA1SCN5ASCN9ADHODH
SCHEMBL8339081 0.77 KIF11 (0.41) DHODHADORA1
SCHEMBL8551496 0.75 NOTUM (0.34) NOTUMTRPA1SCN5ASCN9ADHODH
SCHEMBL8553570 0.75 NOTUM (0.34) NOTUMTRPA1SCN5ASCN9ADHODH
SCHEMBL8399396 0.74 NOTUM (0.36) NOTUMTRPA1SCN5ASCN9ADHODH
SCHEMBL8554641 0.73 NOTUM (0.35) NOTUMTRPA1SCN5ASCN9ADHODH
SCHEMBL8556443 0.73 NOTUM (0.33) NOTUMTRPA1SCN5ASCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0918756-A1 PARASITICIDAL PYRAZOLES Pfizer Limited (GB) 1999-06-02 EP disclosed
EP-0871617-A1 PARASITICIDAL COMPOUNDS PFIZER INC. (US) 1998-10-21 EP disclosed
WO-1998004530-A1 PARASITICIDAL PYRAZOLES PFIZER LIMITED (GB) 1998-02-05 WO disclosed
WO-1997007102-A1 PARASITICIDAL COMPOUNDS PFIZER INC (US) 1997-02-27 WO disclosed