SCHEMBL8401921

SCHEMBL8401921

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
SHMT1 P34896 1/20 0.31
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
NR1I2 O75469 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
GABRA4 P48169 1/20 0.30
GABRE P78334 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 0.80 SMN1; SMN2 (0.35) GAAMAPTSHMT1GABRPGABRD
SCHEMBL8401038 0.80 SMN1; SMN2 (0.35) GAAMAPTSHMT1GABRPGABRD
SCHEMBL8554269 0.78 GABRP (0.34) GAASHMT1GABRPGABRDNR1I2
SCHEMBL8554009 0.78 GABRP (0.34) GAASHMT1GABRPGABRDNR1I2
SCHEMBL8554142 0.78 SHMT1 (0.32) SHMT1GABRPGABRDNR1I2LMNA
SCHEMBL8398602 0.78 SMN1; SMN2 (0.37) GAASHMT1GABRPGABRDNR1I2
SCHEMBL8556302 0.77 KMT2A (0.34) GAASHMT1GABRPGABRDNR1I2
SCHEMBL7970750 0.77 GABRP (0.33) SHMT1GABRPGABRDNR1I2LMNA
SCHEMBL8399498 0.73 GABRP (0.39) GAASHMT1GABRPGABRDNR1I2
SCHEMBL8553238 0.72 AR (0.33) GAAMAPTSHMT1GABRPGABRD

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 disclosed
WO-1998004530-A1 PARASITICIDAL PYRAZOLES PFIZER LIMITED (GB) 1998-02-05 WO disclosed