SCHEMBL8554009

SCHEMBL8554009

N#Cc1n[nH]c(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1C(Cl)=C(Cl)Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRB2 P47870 2/20 0.34
GABRA4 P48169 2/20 0.34
GABRE P78334 2/20 0.34
GABRA6 Q16445 2/20 0.34
GABRG1 Q8N1C3 2/20 0.34
GABRG3 Q99928 2/20 0.34
GABRQ Q9UN88 2/20 0.34
NR1I2 O75469 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL8554269 0.85 GABRP (0.34) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8397807 0.84 SMN1; SMN2 (0.35) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8401038 0.84 SMN1; SMN2 (0.35) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7970750 0.83 GABRP (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8554142 0.82 SHMT1 (0.32) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8398602 0.82 SMN1; SMN2 (0.37) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8556302 0.81 KMT2A (0.34) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8399498 0.79 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8555285 0.79 GABRP (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8553238 0.78 AR (0.33) GABRPGABRDGABRA1GABRB1GABRG2

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-0871617-A1 PARASITICIDAL COMPOUNDS PFIZER INC. (US) 1998-10-21 EP claimed
WO-1997007102-A1 PARASITICIDAL COMPOUNDS PFIZER INC (US) 1997-02-27 WO claimed