SCHEMBL3798515

SCHEMBL3798515

CCC(Oc1ccc2ncc(I)cc2c1)C(=O)NC(C)(C)CCF.CCC(Oc1ccc2ncc(I)cc2c1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 4/20 0.35
ALDH1A1 P00352 3/20 0.35
TP53 P04637 1/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 2/20 0.35
POLB P06746 1/20 0.35
PPARG P37231 3/20 0.34
PPARA Q07869 3/20 0.34
MET P08581 2/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32

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
SCHEMBL3605518 0.96 MAPT (0.38) SMN1; SMN2NPSR1MAPTALDH1A1TP53
SCHEMBL535361 0.84 SMN1; SMN2 (0.51) SMN1; SMN2MAPTALDH1A1LMNAKDM4E
SCHEMBL535165 0.81 MAPT (0.35) SMN1; SMN2NPSR1MAPTALDH1A1TP53
SCHEMBL535164 0.81 MAPT (0.35) SMN1; SMN2NPSR1MAPTALDH1A1TP53
SCHEMBL534845 0.79 MAPT (0.36) SMN1; SMN2NPSR1MAPTALDH1A1TP53
SCHEMBL534678 0.79 MAPT (0.36) SMN1; SMN2NPSR1MAPTALDH1A1TP53
SCHEMBL534844 0.79 MAPT (0.36) SMN1; SMN2NPSR1MAPTALDH1A1TP53
SCHEMBL534677 0.79 MAPT (0.36) SMN1; SMN2NPSR1MAPTALDH1A1TP53
SCHEMBL534843 0.79 MAPT (0.36) SMN1; SMN2NPSR1MAPTALDH1A1TP53
SCHEMBL534540 0.79 HSD17B10 (0.36) SMN1; SMN2NPSR1MAPTALDH1A1TP53

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-2139324-A1 QUINOLINE DERIVATIVES AS FUNGICIDES Syngeta Participations AG (CH) 2010-01-06 EP disclosed
WO-2008110355-A1 QUINOLINE DERIVATIVES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-09-18 WO disclosed