SCHEMBL8552741

SCHEMBL8552741

Nc1c(C(F)(F)F)cc(Cl)c(-c2[nH]nc(-c3ccccc3)c2I)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.45
KDM4E B2RXH2 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GRM5 P41594 2/20 0.35
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
P2RX7 Q99572 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
CNR1 P21554 1/20 0.33
NR2F2 P24468 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL8553445 0.81
SCHEMBL8558752 0.80 P2RX7 (0.30) P2RX7
SCHEMBL10774415 0.68
SCHEMBL8554271 0.67 GABRA2 (0.50) HPGDKDM4ESMN1; SMN2RAB9AALDH1A1
SCHEMBL7970231 0.67 GABRP (0.42) GABRA2GABRB2MAPT
SCHEMBL7460779 0.66
SCHEMBL2374709 0.66 ABCC8 (0.56) HPGDKDM4ESMN1; SMN2RAB9AALDH1A1
SCHEMBL7957533 0.65 GABRP (0.41) HPGDKDM4EALDH1A1GAAHSD17B10
SCHEMBL8302702 0.65 GABRP (0.32) GABRA2GABRB2
SCHEMBL364961 0.65

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