SCHEMBL6978060

SCHEMBL6978060

Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)cc1I

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 4/20 0.50
GABRB2 P47870 4/20 0.50
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA4 P48169 1/20 0.45
GABRE P78334 1/20 0.45
GABRA6 Q16445 1/20 0.45
GABRG1 Q8N1C3 1/20 0.45
GABRG3 Q99928 1/20 0.45
GABRQ Q9UN88 1/20 0.45

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
SCHEMBL6975907 0.83 GABRA2 (0.48) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL6974567 0.82 MEN1 (0.39)
SCHEMBL9780177 0.82 GABRA2 (0.50) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL7815528 0.78 GABRA2 (0.47) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL6055869 0.78 GABRA2 (0.47) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL6555658 0.78 GABRA2 (0.46) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL7707153 0.77 GABRA2 (0.49) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL7805791 0.76 GABRA2 (0.45) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL9780190 0.76 GABRA2 (0.45) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL10348128 0.76 CYP3A4 (0.48) GABRA2GABRB2GABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1159298-C Parasiticidal compound ������ҩ�����޹�˾ 2004-07-28 CN disclosed
CN-1106386-C Parasiticidal pyrazoles PFIZER LTD (US) 2003-04-23 CN disclosed
EP-0946515-B1 PARASITICIDAL PYRAZOLES PFIZER LTD (GB) 2003-03-05 EP disclosed
EP-0871617-B1 PARASITICIDAL COMPOUNDS PFIZER (US) 2001-11-14 EP disclosed
US-6268509-B1 PESTICIDES PFIZER INC 2001-07-31 US disclosed
US-6255333-B1 HUMANS OR ANIMALS PFIZER INC. 2001-07-03 US disclosed
US-6075043-A Parasiticidal pyrazoles PFIZER INC. (US) 2000-06-13 US disclosed
CN-1192735-A Parasiticidal compounds FRIZER INC (US) 1998-09-09 CN disclosed