SCHEMBL7480496

SCHEMBL7480496

Cc1cc(Cl)c(-n2nc(C#N)cc2N)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 8/20 0.40
GABRD O14764 8/20 0.40
GABRA1 P14867 8/20 0.40
GABRB1 P18505 8/20 0.40
GABRG2 P18507 8/20 0.40
GABRB3 P28472 8/20 0.40
GABRA5 P31644 8/20 0.40
GABRA3 P34903 8/20 0.40
GABRA2 P47869 8/20 0.40
GABRB2 P47870 8/20 0.40
GABRA4 P48169 8/20 0.40
GABRE P78334 8/20 0.40
GABRA6 Q16445 8/20 0.40
GABRG1 Q8N1C3 8/20 0.40
GABRG3 Q99928 8/20 0.40
GABRQ Q9UN88 8/20 0.40
KDR P35968 1/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.34
CYP3A4 P08684 2/20 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
SCHEMBL7239468 0.87 KDR (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6976085 0.87 KDR (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7489890 0.82 KDR (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30831882 0.81 GABRA2 (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL239495 0.80 GABRB3 (0.60) GABRPGABRDGABRA1GABRB1GABRG2
Ammonia Solution, Strong SCHEMBL8425567 0.79 GABRB3 (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14615157 0.79 GABRB3 (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2002008 0.77 GABRP (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2003583 0.77 MAPT (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2138287 0.77 GABRP (0.44) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0846686-B1 1-Phenyl-pyrazol derivatives and their use as parasiticidal agents PFIZER LTD (GB) 2002-01-09 EP disclosed
US-6156782-A Parasiticidal compounds PFIZER INC (US) 2000-12-05 US disclosed
US-6069157-A Parasiticidal compounds PFIZER INC. (US) 2000-05-30 US disclosed
EP-0846686-A1 1-Phenyl-pyrazol derivatives and their use as parasiticidal agents Pfizer Limited (GB) 1998-06-10 EP disclosed