SCHEMBL8554271

SCHEMBL8554271

Nc1[nH]nc(-c2ccccc2)c1-c1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 2/20 0.50
GABRB2 P47870 2/20 0.50
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
KDM4E B2RXH2 2/20 0.45
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA4 P48169 1/20 0.43
GABRE P78334 1/20 0.43
GABRA6 Q16445 1/20 0.43
GABRG1 Q8N1C3 1/20 0.43
GABRG3 Q99928 1/20 0.43
GABRQ Q9UN88 1/20 0.43
HPGD P15428 2/20 0.42

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
SCHEMBL7254061 0.77 IKBKB (0.39) GABRA2GABRB2SMN1; SMN2KDM4EGABRP
SCHEMBL10721640 0.77 ALDH1A1 (0.39) GABRA2GABRB2SMN1; SMN2KDM4EGABRP
SCHEMBL8555869 0.76 IKBKB (0.44) GABRA2GABRB2SMN1; SMN2KDM4EGABRP
SCHEMBL10721999 0.76 ALDH1A1 (0.38) GABRA2GABRB2SMN1; SMN2KDM4EGABRP
SCHEMBL8444624 0.75 GABRA2 (0.46) GABRA2GABRB2RAB9ASMN1; SMN2KDM4E
SCHEMBL28740482 0.74 SMN1; SMN2 (0.41) GABRA2GABRB2RAB9ASMN1; SMN2KDM4E
SCHEMBL19926065 0.74 GSK3A (0.57) RAB9ASMN1; SMN2KDM4EHPGDL3MBTL1
SCHEMBL2139259 0.74 KIF11 (0.50) GABRA2GABRB2RAB9ASMN1; SMN2GABRP
SCHEMBL12398398 0.73 IKBKE (0.54) RAB9ASMN1; SMN2KDM4EHPGDNPC1
SCHEMBL29874866 0.73 IKBKE (0.54) RAB9ASMN1; SMN2KDM4EHPGDNPC1

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 disclosed
WO-1997007102-A1 PARASITICIDAL COMPOUNDS PFIZER INC (US) 1997-02-27 WO disclosed