SCHEMBL8397807

SCHEMBL8397807

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
GABRP O00591 3/20 0.35
GABRD O14764 3/20 0.35
GABRA1 P14867 3/20 0.35
GABRB1 P18505 3/20 0.35
GABRG2 P18507 3/20 0.35
GABRB3 P28472 3/20 0.35
GABRA5 P31644 3/20 0.35
GABRA3 P34903 3/20 0.35
GABRA2 P47869 3/20 0.35
GABRB2 P47870 3/20 0.35
GABRA4 P48169 3/20 0.35
GABRE P78334 3/20 0.35
GABRA6 Q16445 3/20 0.35
GABRG1 Q8N1C3 3/20 0.35
GABRG3 Q99928 3/20 0.35
GABRQ Q9UN88 3/20 0.35
NR1I2 O75469 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL8398602 0.88 SMN1; SMN2 (0.37) SMN1; SMN2GABRPGABRDGABRA1GABRB1
SCHEMBL8401038 0.88 SMN1; SMN2 (0.35) SMN1; SMN2GABRPGABRDGABRA1GABRB1
SCHEMBL8556302 0.87 KMT2A (0.34) SMN1; SMN2GABRPGABRDGABRA1GABRB1
SCHEMBL8399396 0.86 NOTUM (0.36) NOTUMRAPGEF3
SCHEMBL8554142 0.86 SHMT1 (0.32) SMN1; SMN2GABRPGABRDGABRA1GABRB1
SCHEMBL8554269 0.84 GABRP (0.34) SMN1; SMN2GABRPGABRDGABRA1GABRB1
SCHEMBL8554009 0.84 GABRP (0.34) SMN1; SMN2GABRPGABRDGABRA1GABRB1
SCHEMBL8553238 0.82 AR (0.33) SMN1; SMN2GABRPGABRDGABRA1GABRB1
SCHEMBL7970750 0.82 GABRP (0.33) SMN1; SMN2GABRPGABRDGABRA1GABRB1
SCHEMBL8401921 0.80 GAA (0.33) SMN1; SMN2GABRPGABRDGABRA1GABRB1

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 6 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
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